1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene

C19H23F5 — CID 143472614

IUPAC1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene
SMILESCCC.Cc1cccc(C)c1C.Fc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C9H12.C7H3F5.C3H8/c1-7-5-4-6-8(2)9(7)3;8-5-3-1-2-4(6(5)9)7(10,11)12;1-3-2/h4-6H,1-3H3;1-3H;3H2,1-2H3
InChIKeyFLYUIMSMNNYIHX-UHFFFAOYSA-N
MW346.38 g/mol
LogP7.01
Rot. Bonds

About 1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene

1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene (PubChem CID 143472614) has the molecular formula C19H23F5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene.

Molecular Properties

Compound Name1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene
PubChem CID143472614
Molecular FormulaC19H23F5
Molecular Weight346.38 g/mol
Exact Mass346.17
IUPAC Name1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene
SMILESCCC.Cc1cccc(C)c1C.Fc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C9H12.C7H3F5.C3H8/c1-7-5-4-6-8(2)9(7)3;8-5-3-1-2-4(6(5)9)7(10,11)12;1-3-2/h4-6H,1-3H3;1-3H;3H2,1-2H3
InChIKeyFLYUIMSMNNYIHX-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 174535656
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CID 123800837
2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83950267
1-[bromo(difluoro)methyl]-2,3-difluorobenzene
CID 68872760
1-fluoro-2,3-dimethylbenzene;formonitrile
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2-(2,3-difluorophenyl)butan-2-amine
CID 63988805
1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 121403127
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CID 134626767

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene?
The IUPAC name of 1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene (CID 143472614) is 1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene.
What is the SMILES notation for 1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene?
The canonical SMILES for 1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene is CCC.Cc1cccc(C)c1C.Fc1cccc(C(F)(F)F)c1F.
What is the InChIKey of 1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene?
The InChIKey is FLYUIMSMNNYIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C7H3F5.C3H8/c1-7-5-4-6-8(2)9(7)3;8-5-3-1-2-4(6(5)9)7(10,11)12;1-3-2/h4-6H,1-3H3;1-3H;3H2,1-2H3.
What are the key properties of 1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene?
1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene has a molecular weight of 346.38 g/mol, XLogP of 7.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene is sourced from PubChem (CID 143472614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).