1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone

C15H9ClF4O — CID 175647106

IUPAC1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(Cl)ccc2F)cc1C(F)(F)F
InChIInChI=1S/C15H9ClF4O/c1-8(21)11-4-2-9(6-13(11)15(18,19)20)12-7-10(16)3-5-14(12)17/h2-7H,1H3
InChIKeyXXMNKPXLPRSVLR-UHFFFAOYSA-N
MW316.68 g/mol
LogP5.37
Rot. Bonds2

About 1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone

1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 175647106) has the molecular formula C15H9ClF4O and a molecular weight of 316.68 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone
PubChem CID175647106
Molecular FormulaC15H9ClF4O
Molecular Weight316.68 g/mol
Exact Mass316.03
IUPAC Name1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(Cl)ccc2F)cc1C(F)(F)F
InChIInChI=1S/C15H9ClF4O/c1-8(21)11-4-2-9(6-13(11)15(18,19)20)12-7-10(16)3-5-14(12)17/h2-7H,1H3
InChIKeyXXMNKPXLPRSVLR-UHFFFAOYSA-N
XLogP5.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.68
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2,5-dichlorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647095
4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333223
4-chloro-2-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228331
1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 175647118
1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647081
4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride
CID 46313255
1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone
CID 82782556
1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651099
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
CID 82783018
4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333287
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone (CID 175647106) is 1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone is CC(=O)c1ccc(-c2cc(Cl)ccc2F)cc1C(F)(F)F.
What is the InChIKey of 1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is XXMNKPXLPRSVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4O/c1-8(21)11-4-2-9(6-13(11)15(18,19)20)12-7-10(16)3-5-14(12)17/h2-7H,1H3.
What are the key properties of 1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone?
1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 316.68 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 175647106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).