1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone

C16H10F6O — CID 175647118

IUPAC1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C16H10F6O/c1-9(23)13-7-4-11(8-14(13)16(20,21)22)10-2-5-12(6-3-10)15(17,18)19/h2-8H,1H3
InChIKeyLGOAHVQDUKNZSS-UHFFFAOYSA-N
MW332.24 g/mol
LogP5.59
Rot. Bonds2

About 1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone

1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone (PubChem CID 175647118) has the molecular formula C16H10F6O and a molecular weight of 332.24 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone
PubChem CID175647118
Molecular FormulaC16H10F6O
Molecular Weight332.24 g/mol
Exact Mass332.06
IUPAC Name1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C16H10F6O/c1-9(23)13-7-4-11(8-14(13)16(20,21)22)10-2-5-12(6-3-10)15(17,18)19/h2-8H,1H3
InChIKeyLGOAHVQDUKNZSS-UHFFFAOYSA-N
XLogP5.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.24
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333213
1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647106
1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647081
1-[4-(2,5-dichlorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647095
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333222
1-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]ethanone
CID 23074393
1-[4-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647114
1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone
CID 23005288
1-[4,5-dimethyl-2-(trifluoromethyl)phenyl]ethanone
CID 131384993
ethyl 2-amino-4-[4-(trifluoromethyl)phenyl]benzoate
CID 134624138
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone (CID 175647118) is 1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone is CC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone?
The InChIKey is LGOAHVQDUKNZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O/c1-9(23)13-7-4-11(8-14(13)16(20,21)22)10-2-5-12(6-3-10)15(17,18)19/h2-8H,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone?
1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone has a molecular weight of 332.24 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 175647118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).