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

C17H15F3O — CID 63527519

IUPAC1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1cccc(C(=O)Cc2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C17H15F3O/c1-11-4-3-5-15(12(11)2)16(21)10-13-6-8-14(9-7-13)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeyBATNRESEKPUSIT-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.75
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 63527519) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID63527519
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1cccc(C(=O)Cc2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C17H15F3O/c1-11-4-3-5-15(12(11)2)16(21)10-13-6-8-14(9-7-13)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeyBATNRESEKPUSIT-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[4-(trifluoromethyl)phenyl]acetyl]benzoic acid
CID 159416871
1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 64714673
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one
CID 62548173
1-(5-bromo-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 65306863
2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone
CID 63927685
2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 102752332
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone
CID 114967852
1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116550965
1-(2,3-dimethylphenyl)-3-hydroxybutan-1-one
CID 162516243
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone (CID 63527519) is 1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone is Cc1cccc(C(=O)Cc2ccc(C(F)(F)F)cc2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is BATNRESEKPUSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-11-4-3-5-15(12(11)2)16(21)10-13-6-8-14(9-7-13)17(18,19)20/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone?
1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 292.30 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 63527519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).