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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
1000-91-5nonenonehighC5H14OSi118.251-35.679
100-17-4nonenonenoneC7H7NO3153.137-7.2945
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
100-29-8nonenonenoneC8H9NO3167.163-8.928
100-26-5nonenonenoneC7H5NO4167.12-1.5746
100007-55-4nonenonenoneC35H39O19763.676-1.2907
100-52-7highhighhighC7H6O106.124-4.225
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
1000-30-2nonenonehighC9H16O140.225-7.4662
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
100-25-4nonenonenoneC6H4N2O4168.108-7.74
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
100005-68-3nonenonenoneC13H12O4232.234-4.9451
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
1000284-53-6nonenonehighC18H36O2284.482-15.583
1000-00-6nonenonehighC10H26OSi2218.487-62.76
100-69-6nonenonenoneC7H7N105.14-4.4598
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
10001-51-1nonenonenoneC9H18N2O170.2555.9677
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
100-39-0highhighnoneC7H7Br171.037-7.8241
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
100-56-1highlowlowC6H5ClHg313.149-2.3575
1000-28-8nonenonenoneC6H3OF11300.067-44.343
100010-99-9nonenonenoneC11H24O2188.31-23.185
100-55-0nonenonenoneC6H7NO109.128-1.9045
100009-88-9nonenonenoneC18H45N7359.604-4.1108
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465
100-49-2nonenonenoneC7H14O114.187-9.3679
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
1000304-40-4nonenonenoneC11H17NO179.2622.2651
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
100011-00-5nonenonenoneC15H24O2236.354-18.044
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
100033-28-1lownonehighC6H9N7179.186-2.3035
100009-92-5nonenonenoneC20H23NO4341.4064.6216
1000339-32-1nonenonenoneC11H14NF179.2370.6275
100007-67-8highnonelowC5H7OClF2156.559-12.702
100018-96-0highhighnoneC20H39O2I438.428-31.232
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
100-73-2highnonenoneC6H8O2112.128-6.3422
10001-13-5nonenonehighC12H22N2O210.323.9217
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
10001-30-6nonenonenoneC17H14O4282.294-0.8408
100-45-8nonenonehighC7H9N107.155-10.018
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
10-13-2009nonenonenoneC15H14O5274.271-1.4702