1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone

C17H15F3O — CID 175647081

IUPAC1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(C)c2C)cc1C(F)(F)F
InChIInChI=1S/C17H15F3O/c1-10-5-4-6-14(11(10)2)13-7-8-15(12(3)21)16(9-13)17(18,19)20/h4-9H,1-3H3
InChIKeyMQFBQPALCPJDNV-UHFFFAOYSA-N
MW292.30 g/mol
LogP5.19
Rot. Bonds2

About 1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone

1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 175647081) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone
PubChem CID175647081
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(C)c2C)cc1C(F)(F)F
InChIInChI=1S/C17H15F3O/c1-10-5-4-6-14(11(10)2)13-7-8-15(12(3)21)16(9-13)17(18,19)20/h4-9H,1-3H3
InChIKeyMQFBQPALCPJDNV-UHFFFAOYSA-N
XLogP5.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.30
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone
CID 82769802
1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647106
1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 175647118
1-[4-(2,5-dichlorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647095
1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone
CID 114068433
1-[2-bromo-4-[2-(trifluoromethyl)phenyl]phenyl]ethanone
CID 70268237
4-(2,4-dimethylphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333245
1-[4,5-dimethyl-2-(trifluoromethyl)phenyl]ethanone
CID 131384993
4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333213
1-[4-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647114
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 54912273
1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone
CID 170759695

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone (CID 175647081) is 1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone is CC(=O)c1ccc(-c2cccc(C)c2C)cc1C(F)(F)F.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is MQFBQPALCPJDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-10-5-4-6-14(11(10)2)13-7-8-15(12(3)21)16(9-13)17(18,19)20/h4-9H,1-3H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone?
1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 292.30 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 175647081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).