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

C16H13F3O — CID 70513343

IUPAC1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)C(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3O/c1-11(20)15(12-6-3-2-4-7-12)13-8-5-9-14(10-13)16(17,18)19/h2-10,15H,1H3
InChIKeyAZFQVFJPEMODOA-UHFFFAOYSA-N
MW278.27 g/mol
LogP4.43
Rot. Bonds3

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

1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 70513343) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one
PubChem CID70513343
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)C(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3O/c1-11(20)15(12-6-3-2-4-7-12)13-8-5-9-14(10-13)16(17,18)19/h2-10,15H,1H3
InChIKeyAZFQVFJPEMODOA-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 134951743
2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone
CID 118130027
3,4-dihydroxy-4-[3-(trifluoromethyl)phenyl]butan-2-one
CID 71379717
1-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-one
CID 2754213
2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 62396852
2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 82085380
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
2-acetyl-5,5-dihydroxy-4-nitro-3-[3-(trifluoromethyl)phenyl]pent-4-enoic acid
CID 135580993
4-hydroxy-2,3-dimethyl-4-[3-(trifluoromethyl)phenyl]butanoic acid
CID 79414458
bis[3-(trifluoromethyl)phenyl]methyl 2-methylprop-2-enoate
CID 89393334
1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene
CID 124554901
2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 24616941

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one (CID 70513343) is 1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one is CC(=O)C(c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is AZFQVFJPEMODOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O/c1-11(20)15(12-6-3-2-4-7-12)13-8-5-9-14(10-13)16(17,18)19/h2-10,15H,1H3.
What are the key properties of 1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one?
1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 278.27 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 70513343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).