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

C21H14ClF3O — CID 118130022

IUPAC1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(c1ccc(Cl)cc1)C(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H14ClF3O/c22-18-12-8-16(9-13-18)20(26)19(14-4-2-1-3-5-14)15-6-10-17(11-7-15)21(23,24)25/h1-13,19H
InChIKeyHGWIASKLFAFXLC-UHFFFAOYSA-N
MW374.79 g/mol
LogP6.37
Rot. Bonds4

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

1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 118130022) has the molecular formula C21H14ClF3O and a molecular weight of 374.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID118130022
Molecular FormulaC21H14ClF3O
Molecular Weight374.79 g/mol
Exact Mass374.07
IUPAC Name1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(c1ccc(Cl)cc1)C(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H14ClF3O/c22-18-12-8-16(9-13-18)20(26)19(14-4-2-1-3-5-14)15-6-10-17(11-7-15)21(23,24)25/h1-13,19H
InChIKeyHGWIASKLFAFXLC-UHFFFAOYSA-N
XLogP6.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.79
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 88827170
[4-[1,2-bis(4-chlorophenyl)-2-oxoethyl]phenyl] trifluoromethanesulfonate
CID 11363822
2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone
CID 118130027
2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 54412235
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
[(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2424390
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 7749903
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546186
benzhydryl 4-(trifluoromethyl)benzoate
CID 132819939
1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone
CID 134071873
2-bromo-2-chloro-1-[4-(trifluoromethyl)phenyl]ethanone
CID 155932133

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone (CID 118130022) is 1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone is O=C(c1ccc(Cl)cc1)C(c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is HGWIASKLFAFXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3O/c22-18-12-8-16(9-13-18)20(26)19(14-4-2-1-3-5-14)15-6-10-17(11-7-15)21(23,24)25/h1-13,19H.
What are the key properties of 1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone?
1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 374.79 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 118130022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).