[4-fluoro-2-(trifluoromethyl)phenyl]methanone

C8H3F4O- — CID 162548357

IUPAC[4-fluoro-2-(trifluoromethyl)phenyl]methanone
SMILESO=[C-]c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C8H3F4O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H/q-1
InChIKeyYDEQEBCIIKQBPV-UHFFFAOYSA-N
MW191.10 g/mol
LogP2.30
Rot. Bonds1

About [4-fluoro-2-(trifluoromethyl)phenyl]methanone

[4-fluoro-2-(trifluoromethyl)phenyl]methanone (PubChem CID 162548357) has the molecular formula C8H3F4O- and a molecular weight of 191.10 g/mol. Its IUPAC name is [4-fluoro-2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-fluoro-2-(trifluoromethyl)phenyl]methanone
PubChem CID162548357
Molecular FormulaC8H3F4O-
Molecular Weight191.10 g/mol
Exact Mass191.01
IUPAC Name[4-fluoro-2-(trifluoromethyl)phenyl]methanone
SMILESO=[C-]c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C8H3F4O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H/q-1
InChIKeyYDEQEBCIIKQBPV-UHFFFAOYSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane
CID 144882970
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
CID 166607729
4-fluoro-1-(1,1,2-trifluoroethyl)-2-(trifluoromethyl)benzene
CID 21036142
4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 165446474
1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one
CID 117115013
2-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 68716892
2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 117115583
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753
1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole
CID 171371245
(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 131361853

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-fluoro-2-(trifluoromethyl)phenyl]methanone (CID 162548357) is [4-fluoro-2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-fluoro-2-(trifluoromethyl)phenyl]methanone is O=[C-]c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of [4-fluoro-2-(trifluoromethyl)phenyl]methanone?
The InChIKey is YDEQEBCIIKQBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F4O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H/q-1.
What are the key properties of [4-fluoro-2-(trifluoromethyl)phenyl]methanone?
[4-fluoro-2-(trifluoromethyl)phenyl]methanone has a molecular weight of 191.10 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 162548357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).