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

C16H12ClF3O — CID 106865778

IUPAC2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(CC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1
InChIInChI=1S/C16H12ClF3O/c1-10-2-3-12(14(17)8-10)9-15(21)11-4-6-13(7-5-11)16(18,19)20/h2-8H,9H2,1H3
InChIKeyKCOGLAQCJCNNGJ-UHFFFAOYSA-N
MW312.72 g/mol
LogP5.09
Rot. Bonds3

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

2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 106865778) has the molecular formula C16H12ClF3O and a molecular weight of 312.72 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID106865778
Molecular FormulaC16H12ClF3O
Molecular Weight312.72 g/mol
Exact Mass312.05
IUPAC Name2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(CC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1
InChIInChI=1S/C16H12ClF3O/c1-10-2-3-12(14(17)8-10)9-15(21)11-4-6-13(7-5-11)16(18,19)20/h2-8H,9H2,1H3
InChIKeyKCOGLAQCJCNNGJ-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.72
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 63410452
1-chloro-3-(2-chloro-4-methylphenyl)-1,1-difluoropropan-2-one
CID 106867096
2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106865397
1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865689
1-(3-amino-5-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106871319
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106865458
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 63411541
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 106871189

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone (CID 106865778) is 2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone is Cc1ccc(CC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is KCOGLAQCJCNNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3O/c1-10-2-3-12(14(17)8-10)9-15(21)11-4-6-13(7-5-11)16(18,19)20/h2-8H,9H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 312.72 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 106865778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).