1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one

C16H11F3O2 — CID 174384759

IUPAC1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H11F3O2/c17-16(18,19)10-14(20)12-8-4-5-9-13(12)15(21)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeySMRBWTGMZZXCIS-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.05
Rot. Bonds4

About 1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one

1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one (PubChem CID 174384759) has the molecular formula C16H11F3O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one
PubChem CID174384759
Molecular FormulaC16H11F3O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H11F3O2/c17-16(18,19)10-14(20)12-8-4-5-9-13(12)15(21)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeySMRBWTGMZZXCIS-UHFFFAOYSA-N
XLogP4.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzoylphenyl)-3-chloropropan-1-one
CID 172792049
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
4,4,4-trifluoro-1-phenylbutane-1,2-dione
CID 101085965
1-(2-benzoylphenyl)hexan-1-one
CID 158745155
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
diphenylmethanone;gold
CID 174931146
amino 2-benzoylbenzoate
CID 19737509
1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one
CID 114601765
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one
CID 62548173
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one
CID 43337660
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one (CID 174384759) is 1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one is O=C(CC(F)(F)F)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one?
The InChIKey is SMRBWTGMZZXCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O2/c17-16(18,19)10-14(20)12-8-4-5-9-13(12)15(21)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one?
1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one has a molecular weight of 292.26 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylphenyl)-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 174384759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).