2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one

C17H15F3O — CID 104845048

IUPAC2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1
InChIInChI=1S/C17H15F3O/c1-12(16(21)14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)17(18,19)20/h2-10,12H,11H2,1H3
InChIKeyCWWJFJDMXNJOOJ-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.77
Rot. Bonds4

About 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one

2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 104845048) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID104845048
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1
InChIInChI=1S/C17H15F3O/c1-12(16(21)14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)17(18,19)20/h2-10,12H,11H2,1H3
InChIKeyCWWJFJDMXNJOOJ-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

lithium;hydride;[[2-methyl-3-[4-(trifluoromethyl)phenyl]propanoyl]amino] benzoate
CID 174428956
2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate;hydrochloride
CID 129318792
N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119527909
2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 54412235
2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
CID 91801769
1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
CID 60624061
2-benzyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile
CID 132571444
N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119495884
N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 100927098
5,5,5-trifluoro-2,4-dimethyl-1-phenylpentan-1-one
CID 54076054
(2S)-3-phenyl-2-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propanoic acid
CID 122037540
1,3-bis(4-chlorophenyl)-2-methylpropan-1-one
CID 86090557

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 104845048) is 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one is CC(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is CWWJFJDMXNJOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-12(16(21)14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)17(18,19)20/h2-10,12H,11H2,1H3.
What are the key properties of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one?
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 292.30 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 104845048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).