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

C15H10ClF3O — CID 63411309

IUPAC2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3O/c16-13-7-1-10(2-8-13)9-14(20)11-3-5-12(6-4-11)15(17,18)19/h1-8H,9H2
InChIKeyZIBXWXXKIZRVGO-UHFFFAOYSA-N
MW298.69 g/mol
LogP4.78
Rot. Bonds3

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

2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 63411309) has the molecular formula C15H10ClF3O and a molecular weight of 298.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID63411309
Molecular FormulaC15H10ClF3O
Molecular Weight298.69 g/mol
Exact Mass298.04
IUPAC Name2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3O/c16-13-7-1-10(2-8-13)9-14(20)11-3-5-12(6-4-11)15(17,18)19/h1-8H,9H2
InChIKeyZIBXWXXKIZRVGO-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 24723939
(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate
CID 599354
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 53407120
1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 154014777
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 114971487
1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 105093000
1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116550965
1-(4-chlorophenyl)-4-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]butane-1,4-dione
CID 55587847
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11438271
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone (CID 63411309) is 2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ZIBXWXXKIZRVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O/c16-13-7-1-10(2-8-13)9-14(20)11-3-5-12(6-4-11)15(17,18)19/h1-8H,9H2.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 298.69 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 63411309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).