1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone

C15H9ClF4O — CID 64714673

IUPAC1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C15H9ClF4O/c16-12-3-1-2-11(14(12)17)13(21)8-9-4-6-10(7-5-9)15(18,19)20/h1-7H,8H2
InChIKeyXZVHEFHMAPQLTH-UHFFFAOYSA-N
MW316.68 g/mol
LogP4.92
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone

1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 64714673) has the molecular formula C15H9ClF4O and a molecular weight of 316.68 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID64714673
Molecular FormulaC15H9ClF4O
Molecular Weight316.68 g/mol
Exact Mass316.03
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C15H9ClF4O/c16-12-3-1-2-11(14(12)17)13(21)8-9-4-6-10(7-5-9)15(18,19)20/h1-7H,8H2
InChIKeyXZVHEFHMAPQLTH-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.68
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 64714143
2-[2-[4-(trifluoromethyl)phenyl]acetyl]benzoic acid
CID 159416871
1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 63527519
1-(3-chloro-2-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64714500
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone
CID 146009822
2-amino-1-(3-chloro-2-fluorophenyl)ethanone
CID 81263230
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 102617677
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 64713786
N-(2-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 25299245
1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 64713085
2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 82802165

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone (CID 64714673) is 1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is XZVHEFHMAPQLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4O/c16-12-3-1-2-11(14(12)17)13(21)8-9-4-6-10(7-5-9)15(18,19)20/h1-7H,8H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 316.68 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 64714673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).