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100007 67 8 | Cheminformatics

Chemical : 3-Fluoro-2-(fluoromethyl)-2-methylpropanoyl chloride

Casrn : 100007-67-8

MolName : 3-Fluoro-2-(fluoromethyl)-2-methylpropanoyl chloride

MolecularFormula : C5H7OClF2

Smiles : CC(CF)(CF)C(Cl)=O

InChI : InChI=1S/C5H7ClF2O/c1-5(2-7,3-8)4(6)9/h2-3H2,1H3

InChIK : RETAOTRQACSYQO-UHFFFAOYSA-N

CanonicalSyTyLFy : 4f2c6c46628abbad

TotalMolweight : 156.559

Molweight : 156.559

MonoisotopicMass : 156.015348

CLogP : 0.8701

CLogS : -1.292

H Acceptors : 1

TotalSurfaceArea : 109.56

Relative PSA : 0.11902

PolarSurfaceArea : 17.07

Druglikeness : -12.702

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : low

Nasty Functions : acyl-halogenide type

Shape Index : 0.55556

Molecula Flexibility : 0.86621

Molecular Complexity : 0.54931

Fragments : 1

Non HAtoms : 9

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 3

Sp3Atoms : 4

Symmetricatoms : 2

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100-40-3nonenonehighC8H12108.183-9.1684
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653
100-89-0nonenonelowC18H36O6B2370.1-16.157
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
1000269-68-0nonenonenoneC14H24N4248.3730.99367
100-87-8nonenonenoneC7H8O3S172.204-10.732
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825
1000-82-4lowhighhighC2H6N2O290.08160.41759
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
10002-30-9nonenonenoneC12H9NOS215.2750.083087
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
1000284-35-4nonenonehighC16H24O4280.363-11.936
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
100-10-7nonehighhighC9H11NO149.192-1.8715
1000-41-5nonenonelowC10H18O154.252-9.05
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
1000-86-8nonenonenoneC7H1296.1723-10.397
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
1000000-13-4highhighhighC21H28O12472.441-0.17986
1000-00-6nonenonehighC10H26OSi2218.487-62.76
100-57-2highlowlowC6H6OHg294.703-2.3891
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
100-49-2nonenonenoneC7H14O114.187-9.3679
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
1000-91-5nonenonehighC5H14OSi118.251-35.679
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
100033-28-1lownonehighC6H9N7179.186-2.3035
10001-13-5nonenonehighC12H22N2O210.323.9217
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
100-52-7highhighhighC7H6O106.124-4.225
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
100-21-0highnonehighC8H6O4166.132-1.8442
1000339-31-0nonenonehighC12H16NCl209.7190.65299
100021-05-4nonenonenoneC21H28O2312.4510.95307
100-56-1highlowlowC6H5ClHg313.149-2.3575
100-66-3highnonehighC7H8O108.14-2.0846
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
100-99-2nonenonelowC12H27Al198.328-22.009
100-12-9nonenonenoneC8H9NO2151.164-7.7443
100-20-9highnonelowC8H4O2Cl2203.024-10.706