1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone

C12H8ClFO2 — CID 62500513

IUPAC1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C12H8ClFO2/c1-7(15)11-4-5-12(16-11)8-2-3-9(13)10(14)6-8/h2-6H,1H3
InChIKeyONAAYSKCXXWZIL-UHFFFAOYSA-N
MW238.65 g/mol
LogP3.94
Rot. Bonds2

About 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone

1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone (PubChem CID 62500513) has the molecular formula C12H8ClFO2 and a molecular weight of 238.65 g/mol. Its IUPAC name is 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone
PubChem CID62500513
Molecular FormulaC12H8ClFO2
Molecular Weight238.65 g/mol
Exact Mass238.02
IUPAC Name1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C12H8ClFO2/c1-7(15)11-4-5-12(16-11)8-2-3-9(13)10(14)6-8/h2-6H,1H3
InChIKeyONAAYSKCXXWZIL-UHFFFAOYSA-N
XLogP3.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone
CID 62500345
1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone
CID 65437595
1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone
CID 107622692
1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone
CID 107530720
1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone
CID 2805836
(E)-3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]but-2-enoic acid
CID 82543829
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
1-[5-(3-aminophenyl)furan-2-yl]ethanone
CID 165461195
1-[5-[4-(dimethylamino)phenyl]furan-2-yl]ethanone
CID 82541119
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3551441
1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62633284

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone (CID 62500513) is 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone is CC(=O)c1ccc(-c2ccc(Cl)c(F)c2)o1.
What is the InChIKey of 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone?
The InChIKey is ONAAYSKCXXWZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO2/c1-7(15)11-4-5-12(16-11)8-2-3-9(13)10(14)6-8/h2-6H,1H3.
What are the key properties of 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone?
1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone has a molecular weight of 238.65 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone is sourced from PubChem (CID 62500513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).