(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone

C14H7F5O — CID 43338250

IUPAC(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H7F5O/c15-11-5-4-9(7-12(11)16)13(20)8-2-1-3-10(6-8)14(17,18)19/h1-7H
InChIKeyOZROXNQLSFMDAT-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.21
Rot. Bonds2

About (3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone

(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 43338250) has the molecular formula C14H7F5O and a molecular weight of 286.20 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID43338250
Molecular FormulaC14H7F5O
Molecular Weight286.20 g/mol
Exact Mass286.04
IUPAC Name(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H7F5O/c15-11-5-4-9(7-12(11)16)13(20)8-2-1-3-10(6-8)14(17,18)19/h1-7H
InChIKeyOZROXNQLSFMDAT-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
(3-bromo-2,6-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 106941639
(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970207
2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 116996899
(2-fluoro-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970263
2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
CID 159329806
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
(5-fluoro-2-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 62790265
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
[4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone
CID 62789591

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone (CID 43338250) is (3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is OZROXNQLSFMDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5O/c15-11-5-4-9(7-12(11)16)13(20)8-2-1-3-10(6-8)14(17,18)19/h1-7H.
What are the key properties of (3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone?
(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 286.20 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 43338250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).