1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene

C8H4F6 — CID 46311777

IUPAC1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(C(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C8H4F6/c9-4-1-2-5(7(10)11)6(3-4)8(12,13)14/h1-3,7H
InChIKeyXERQRPVAOCQNGD-UHFFFAOYSA-N
MW214.11 g/mol
LogP3.78
Rot. Bonds1

About 1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene

1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene (PubChem CID 46311777) has the molecular formula C8H4F6 and a molecular weight of 214.11 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
PubChem CID46311777
Molecular FormulaC8H4F6
Molecular Weight214.11 g/mol
Exact Mass214.02
IUPAC Name1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(C(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C8H4F6/c9-4-1-2-5(7(10)11)6(3-4)8(12,13)14/h1-3,7H
InChIKeyXERQRPVAOCQNGD-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753
(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 131361853
(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131385611
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242667
4-fluoro-1-pentan-3-yl-2-(trifluoromethyl)benzene
CID 146382757
(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 129381916
2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 68716892
(1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 171228633
(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242678
(R)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 131415856
(S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 131397243
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021125

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene (CID 46311777) is 1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene is Fc1ccc(C(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is XERQRPVAOCQNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6/c9-4-1-2-5(7(10)11)6(3-4)8(12,13)14/h1-3,7H.
What are the key properties of 1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene?
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene has a molecular weight of 214.11 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 46311777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).