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

C17H15F3O — CID 94301681

IUPAC2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one
SMILESCC(C)C(=O)c1cccc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H15F3O/c1-11(2)16(21)14-7-3-5-12(9-14)13-6-4-8-15(10-13)17(18,19)20/h3-11H,1-2H3
InChIKeyKZMXCQXEWYUUGP-UHFFFAOYSA-N
MW292.30 g/mol
LogP5.21
Rot. Bonds3

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

2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one (PubChem CID 94301681) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one
PubChem CID94301681
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one
SMILESCC(C)C(=O)c1cccc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H15F3O/c1-11(2)16(21)14-7-3-5-12(9-14)13-6-4-8-15(10-13)17(18,19)20/h3-11H,1-2H3
InChIKeyKZMXCQXEWYUUGP-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.30
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(trifluoromethyl)phenyl]benzoate
CID 7021706
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
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2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 141033390
2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one
CID 70930857
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N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide
CID 177119035
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
(2S)-2-[3-(trifluoromethyl)benzoyl]butanoic acid
CID 95048187
(2S)-3-methyl-2-[4-[3-(trifluoromethyl)phenyl]phenyl]butanoic acid
CID 11652705
methyl 3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 121205112
2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 166815793

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one (CID 94301681) is 2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one is CC(C)C(=O)c1cccc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one?
The InChIKey is KZMXCQXEWYUUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-11(2)16(21)14-7-3-5-12(9-14)13-6-4-8-15(10-13)17(18,19)20/h3-11H,1-2H3.
What are the key properties of 2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one?
2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one has a molecular weight of 292.30 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one is sourced from PubChem (CID 94301681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).