1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one

C15H12ClFO — CID 24726182

IUPAC1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClFO/c16-13-3-1-2-12(10-13)15(18)9-6-11-4-7-14(17)8-5-11/h1-5,7-8,10H,6,9H2
InChIKeyDASITHZZCXMUOI-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.29
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one

1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one (PubChem CID 24726182) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
PubChem CID24726182
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClFO/c16-13-3-1-2-12(10-13)15(18)9-6-11-4-7-14(17)8-5-11/h1-5,7-8,10H,6,9H2
InChIKeyDASITHZZCXMUOI-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726035
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 33138783
1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one
CID 24725678
1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62030758
1-(3-chlorophenyl)-3-(4-fluoro-N-methylanilino)propan-1-one
CID 62629866
1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one
CID 24726555
3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 24726034
1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 63411862
2-(4-aminophenyl)-1-(3-chlorophenyl)ethanone
CID 116549576
3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one
CID 24726545
3-(3,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726448
2-(chloroamino)-1-(3-chlorophenyl)ethanone
CID 126496293

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one (CID 24726182) is 1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one is O=C(CCc1ccc(F)cc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one?
The InChIKey is DASITHZZCXMUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c16-13-3-1-2-12(10-13)15(18)9-6-11-4-7-14(17)8-5-11/h1-5,7-8,10H,6,9H2.
What are the key properties of 1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one?
1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one has a molecular weight of 262.71 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 24726182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).