2-(trifluoromethyl)quinoxaline

Formula:C9H5N2F3 CAS:148853-42-3 ChemrytIQ

PropertyValue
Casrn148853-42-3
MolName2-(trifluoromethyl)quinoxaline
MolecularFormulaC9H5N2F3
SmilesFC(c1nc2ccccc2nc1)(F)F
InChIInChI=1S/C9H5F3N2/c10-9(11,12)8-5-13-6-3-1-2-4-7(6)14-8/h1-5H
InChIKYIQVNKFWTSLVSA-UHFFFAOYSA-N
CanonicalSyTyLFy490a410cf50b358c
TotalMolweight198.147
Molweight198.147
MonoisotopicMass198.040482
CLogP1.9995
CLogS-2.224
H Acceptors2
TotalSurfaceArea134.84
Relative PSA0.16271
PolarSurfaceArea25.78
Druglikeness-8.9598
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.57143
Molecula Flexibility0.30232
Molecular Complexity0.69754
Fragments1
Non HAtoms14
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond1
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms10
Sp3Atoms1
Symmetricatoms2
Aromatic Nitrogens2
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
10001-52-2highhighnoneC11H10N6O3S306.3056.7202 ChemrytIQ
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100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821 ChemrytIQ
1000-36-8nonenonenoneC11H25O3P236.29-27.011 ChemrytIQ
100013-07-8nonenonenoneC18H32B.Li259.263-11.013 ChemrytIQ
100020-34-6nonenonenoneC13H18S2238.418-0.23079 ChemrytIQ
1000-28-8nonenonenoneC6H3OF11300.067-44.343 ChemrytIQ
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545 ChemrytIQ
100007-54-3nonenonenoneC28H30O13574.533-1.9839 ChemrytIQ
1000-41-5nonenonelowC10H18O154.252-9.05 ChemrytIQ
100033-28-1lownonehighC6H9N7179.186-2.3035 ChemrytIQ
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861 ChemrytIQ
100-87-8nonenonenoneC7H8O3S172.204-10.732 ChemrytIQ
1000-78-8highlownoneC11H24N2184.326-10.254 ChemrytIQ
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981 ChemrytIQ
100009-92-5nonenonenoneC20H23NO4341.4064.6216 ChemrytIQ
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683 ChemrytIQ
10-13-2009nonenonenoneC15H14O5274.271-1.4702 ChemrytIQ
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664 ChemrytIQ
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052 ChemrytIQ
100005-44-5highnonelowC7H5O2ClS188.634-11.771 ChemrytIQ
100-28-7highlowlowC7H4N2O3164.12-21.552 ChemrytIQ
100004-92-0nonenonenoneC16H11NO2249.268-1.5746 ChemrytIQ
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356 ChemrytIQ
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797 ChemrytIQ
100005-79-6nonenonenoneC12H9NS199.276-2.6106 ChemrytIQ
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756 ChemrytIQ
10-35-5nonenonenoneC4H6O2BrF184.992-23.473 ChemrytIQ
100-01-6nonenonenoneC6H6N2O2138.126-7.2389 ChemrytIQ
100-40-3nonenonehighC8H12108.183-9.1684 ChemrytIQ
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176 ChemrytIQ
100010-99-9nonenonenoneC11H24O2188.31-23.185 ChemrytIQ
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988 ChemrytIQ
10003-69-7nonenonenoneC10H14O8S4390.4770.2775 ChemrytIQ
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275 ChemrytIQ
1000284-53-6nonenonehighC18H36O2284.482-15.583 ChemrytIQ
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354 ChemrytIQ
10001-13-5nonenonehighC12H22N2O210.323.9217 ChemrytIQ
1000-84-6nonenonehighC4H9NO87.1215-6.3779 ChemrytIQ
10002-97-8nonenonenoneC18H30O2278.4340.24997 ChemrytIQ
100004-80-6nonenonenoneC13H11NO3229.234-1.3547 ChemrytIQ
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6 ChemrytIQ
100-96-9highnonenoneC7H10N2O138.169-1.7412 ChemrytIQ
1000303-67-2nonenonenoneC6H8N2O124.1432.717 ChemrytIQ
100031-76-3nonenonenoneC30H44NO8P577.652-46.719 ChemrytIQ
100-61-8highnonenoneC7H9N107.155-0.23765 ChemrytIQ
100-29-8nonenonenoneC8H9NO3167.163-8.928 ChemrytIQ
100-56-1highlowlowC6H5ClHg313.149-2.3575 ChemrytIQ
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074 ChemrytIQ
10-18-2004nonenonenoneC6H8OS2160.261-3.1913 ChemrytIQ
10000-51-8nonenonenoneC14H15NO3245.2770.10503 ChemrytIQ
10003-42-6nonenonenoneC11H11NO4221.211-4.7046 ChemrytIQ
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197 ChemrytIQ
100-41-4highhighhighC8H10106.167-2.68 ChemrytIQ
1000018-39-2highhighlowC13H20N2O2S268.381.9315 ChemrytIQ
100-20-9highnonelowC8H4O2Cl2203.024-10.706 ChemrytIQ
100008-84-2nonenonenoneC22H14N2O2338.3653.1859 ChemrytIQ
1000269-67-9nonenonenoneC13H22N4234.3460.99367 ChemrytIQ
100-64-1highhighnoneC6H11NO113.159-6.4182 ChemrytIQ
10001-43-1nonenonenoneC15H18N6O2314.3484.1828 ChemrytIQ