3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one

C15H12ClFO — CID 154714383

IUPAC3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one
SMILESO=C(CC(F)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H12ClFO/c16-13-9-5-4-8-12(13)14(17)10-15(18)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyCTDWVRJKSIWMEE-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.62
Rot. Bonds4

About 3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one

3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one (PubChem CID 154714383) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one
PubChem CID154714383
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one
SMILESO=C(CC(F)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H12ClFO/c16-13-9-5-4-8-12(13)14(17)10-15(18)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyCTDWVRJKSIWMEE-UHFFFAOYSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-1,4-diphenylbutane-1,4-dione
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S-[1-(2-chlorophenyl)-3-oxo-3-phenylpropyl] benzenecarbothioate
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3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
3,5,5-trifluoro-1-phenylpentane-1,4-dione
CID 175401835
1-(2-chlorophenyl)-1-fluoropropan-2-one
CID 105442385
3-amino-4,4-dimethyl-1-phenylpentan-1-one
CID 116608460
3-(2-chlorophenyl)butanoic acid
CID 54775987
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide
CID 111450915
2-(2-chlorophenyl)-2-fluoroacetamide
CID 115017416
(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
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(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one (CID 154714383) is 3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one is O=C(CC(F)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one?
The InChIKey is CTDWVRJKSIWMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c16-13-9-5-4-8-12(13)14(17)10-15(18)11-6-2-1-3-7-11/h1-9,14H,10H2.
What are the key properties of 3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one?
3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one has a molecular weight of 262.71 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-fluoro-1-phenylpropan-1-one is sourced from PubChem (CID 154714383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).