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

C17H15F3O — CID 146009091

IUPAC1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
SMILESCc1c(C(=O)CCc2ccccc2)cccc1C(F)(F)F
InChIInChI=1S/C17H15F3O/c1-12-14(8-5-9-15(12)17(18,19)20)16(21)11-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3
InChIKeyRJVFIIMMCITUDE-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.83
Rot. Bonds4

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

1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one (PubChem CID 146009091) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
PubChem CID146009091
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
SMILESCc1c(C(=O)CCc2ccccc2)cccc1C(F)(F)F
InChIInChI=1S/C17H15F3O/c1-12-14(8-5-9-15(12)17(18,19)20)16(21)11-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3
InChIKeyRJVFIIMMCITUDE-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one
CID 146006893
1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one
CID 116604350
5-chloro-1-[2-methyl-3-(trifluoromethyl)phenyl]pentan-1-one
CID 146009070
methyl 4-[2-methyl-3-(trifluoromethyl)phenyl]-4-oxobutanoate
CID 146009067
1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009039
3-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 24725996
2-methyl-3-(trifluoromethyl)benzenecarbothioic S-acid
CID 54402075
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 103024106
2-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-one
CID 146009043
N,2-dimethyl-3-(trifluoromethyl)benzamide
CID 67627642
1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 134109996

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one (CID 146009091) is 1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one is Cc1c(C(=O)CCc2ccccc2)cccc1C(F)(F)F.
What is the InChIKey of 1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one?
The InChIKey is RJVFIIMMCITUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-12-14(8-5-9-15(12)17(18,19)20)16(21)11-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3.
What are the key properties of 1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one?
1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one has a molecular weight of 292.30 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 146009091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).