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

C16H12F4O — CID 146009039

IUPAC1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C16H12F4O/c17-13-8-4-7-12(15(13)16(18,19)20)14(21)10-9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyGBXAOMVTDCDIIN-UHFFFAOYSA-N
MW296.26 g/mol
LogP4.66
Rot. Bonds4

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

1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one (PubChem CID 146009039) has the molecular formula C16H12F4O and a molecular weight of 296.26 g/mol. Its IUPAC name is 1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
PubChem CID146009039
Molecular FormulaC16H12F4O
Molecular Weight296.26 g/mol
Exact Mass296.08
IUPAC Name1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C16H12F4O/c17-13-8-4-7-12(15(13)16(18,19)20)14(21)10-9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyGBXAOMVTDCDIIN-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 54.66
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-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009091
2-fluoro-6-(3-phenylpropanoyl)benzonitrile
CID 146010437
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
3-fluoro-2-(trifluoromethyl)benzamide
CID 2774778
[2-[3-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl] acetate
CID 146009007
3-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 24725996
1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 134109996
1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one
CID 24725579
2-dimethoxyphosphoryl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 86609913
2,2,2-trichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 146009003
1-[3-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862183

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one (CID 146009039) is 1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1cccc(F)c1C(F)(F)F.
What is the InChIKey of 1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one?
The InChIKey is GBXAOMVTDCDIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4O/c17-13-8-4-7-12(15(13)16(18,19)20)14(21)10-9-11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of 1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one?
1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one has a molecular weight of 296.26 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 146009039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).