Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

61984 67 6 | Cheminformatics

Chemical : (1Z)-2,2,2-Trifluoro-N-[2-(trifluoromethyl)phenyl]ethanimidoyl chloride

Casrn : 61984-67-6

MolName : (1Z)-2,2,2-Trifluoro-N-[2-(trifluoromethyl)phenyl]ethanimidoyl chloride

MolecularFormula : C9H4NClF6

Smiles : FC(/C(/Cl)=N/c1c(C(F)(F)F)cccc1)(F)F

InChI : InChI=1S/C9H4ClF6N/c10-7(9(14,15)16)17-6-4-2-1-3-5(6)8(11,12)13/h1-4H

InChIK : SFRNPQRPCXSFPZ-UHFFFAOYSA-N

CanonicalSyTyLFy : 2d14f3b611aadf4d

TotalMolweight : 275.579

Molweight : 275.579

MonoisotopicMass : 274.993644

CLogP : 2.8559

CLogS : -3.271

H Acceptors : 1

TotalSurfaceArea : 170.57

Relative PSA : 0.06748

PolarSurfaceArea : 12.36

Druglikeness : -10.341

Mutagenic : low

Tumorigenic : low

Reproductive Effective : low

Irritant : none

Nasty Functions : acyl-halogenide type

Shape Index : 0.47059

Molecula Flexibility : 0.56421

Molecular Complexity : 0.62953

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 3

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 2

Symmetricatoms : 4

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
1000269-67-9nonenonenoneC13H22N4234.3460.99367
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
10001-13-5nonenonehighC12H22N2O210.323.9217
100-50-5nonenonehighC7H10O110.155-9.6048
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
100-83-4highnonelowC7H6O2122.123-4.1407
100-52-7highhighhighC7H6O106.124-4.225
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
100033-28-1lownonehighC6H9N7179.186-2.3035
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
100-82-3nonenonenoneC7H8NF125.146-3.4112
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
1000-36-8nonenonenoneC11H25O3P236.29-27.011
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
100-29-8nonenonenoneC8H9NO3167.163-8.928
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100-38-9nonenonehighC6H15NS133.2580.17671
100-99-2nonenonelowC12H27Al198.328-22.009
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
100009-88-9nonenonenoneC18H45N7359.604-4.1108
1000339-31-0nonenonehighC12H16NCl209.7190.65299
1000-86-8nonenonenoneC7H1296.1723-10.397
100020-83-5nonenonelowC7H11O3B153.972-20.814
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
1000-69-7highnonelowC7H18SSn252.996-9.6969
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
100-81-2nonenonenoneC8H11N121.182-2.1005
1000-28-8nonenonenoneC6H3OF11300.067-44.343
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
100011-00-5nonenonenoneC15H24O2236.354-18.044
1000-78-8highlownoneC11H24N2184.326-10.254
1000339-33-2nonenonenoneC10H11NClF199.6550.76
100-27-6lownonenoneC8H9NO3167.163-9.2735
100031-92-3nonenonehighC10H30OSi4278.691-53.619
10001-52-2highhighnoneC11H10N6O3S306.3056.7202
100005-68-3nonenonenoneC13H12O4232.234-4.9451
100007-54-3nonenonenoneC28H30O13574.533-1.9839
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
100005-12-7nonenonelowC11H10NCl191.662.2675
1000-83-5lowhighhighC2H6N2OS106.149-2.264
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
100020-94-8highnonelowC12H17OCl212.719-11.962
1000-91-5nonenonehighC5H14OSi118.251-35.679
100-66-3highnonehighC7H8O108.14-2.0846
1000269-66-8nonenonenoneC12H20N4220.3190.5423
100-40-3nonenonehighC8H12108.183-9.1684