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

C15H12ClFO — CID 24726035

IUPAC3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
SMILESO=C(CCc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C15H12ClFO/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-6,9-10H,7-8H2
InChIKeySSOZIRPRMFPWQR-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.29
Rot. Bonds4

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

3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one (PubChem CID 24726035) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
PubChem CID24726035
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
SMILESO=C(CCc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C15H12ClFO/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-6,9-10H,7-8H2
InChIKeySSOZIRPRMFPWQR-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

1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726182
3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 24726034
1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one
CID 82117867
1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one
CID 24725678
3-(3,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726448
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one
CID 24726042
4-[3-(3-fluorophenyl)propanoyl]benzoic acid
CID 82123939
1-(3-bromophenyl)-3-(3-chloro-5-fluorophenyl)propan-1-one
CID 24726555
3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one
CID 58125929
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
3-(3-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)propan-1-one
CID 24726545
3-(3-chlorophenyl)propanoate
CID 6946708

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one (CID 24726035) is 3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one is O=C(CCc1cccc(Cl)c1)c1cccc(F)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one?
The InChIKey is SSOZIRPRMFPWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-6,9-10H,7-8H2.
What are the key properties of 3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one?
3-(3-chlorophenyl)-1-(3-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 3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 24726035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).