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

C12H8ClFO2 — CID 107530720

IUPAC1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(F)ccc2Cl)o1
InChIInChI=1S/C12H8ClFO2/c1-7(15)11-4-5-12(16-11)9-6-8(14)2-3-10(9)13/h2-6H,1H3
InChIKeyQPTRMMQPYPZZAU-UHFFFAOYSA-N
MW238.65 g/mol
LogP3.94
Rot. Bonds2

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

1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone (PubChem CID 107530720) has the molecular formula C12H8ClFO2 and a molecular weight of 238.65 g/mol. Its IUPAC name is 1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone
PubChem CID107530720
Molecular FormulaC12H8ClFO2
Molecular Weight238.65 g/mol
Exact Mass238.02
IUPAC Name1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(F)ccc2Cl)o1
InChIInChI=1S/C12H8ClFO2/c1-7(15)11-4-5-12(16-11)9-6-8(14)2-3-10(9)13/h2-6H,1H3
InChIKeyQPTRMMQPYPZZAU-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-(4-chloro-3-fluorophenyl)furan-2-yl]ethanone
CID 62500513
1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanamine
CID 107530721
1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone
CID 2805836
5-(2,4-difluorophenyl)furan-2-carbonyl chloride
CID 82117761
1-[5-(4-chloro-3-methoxyphenyl)furan-2-yl]ethanone
CID 107622692
methyl 5-(5-fluoro-2-methylphenyl)furan-2-carboxylate
CID 11310857
1-(5-methylcyclopenta[b]pyran-2-yl)ethanone
CID 151002996
5-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 9077694
1-[5-(3-fluoro-2-methylphenyl)furan-2-yl]ethanone
CID 62498241
methyl 5-(5-amino-2-chlorophenyl)furan-2-carboxylate
CID 16762246
5-(2,4-difluorophenyl)furan-2-carboxamide
CID 82114716
N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 2892817

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone (CID 107530720) is 1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone is CC(=O)c1ccc(-c2cc(F)ccc2Cl)o1.
What is the InChIKey of 1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone?
The InChIKey is QPTRMMQPYPZZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO2/c1-7(15)11-4-5-12(16-11)9-6-8(14)2-3-10(9)13/h2-6H,1H3.
What are the key properties of 1-[5-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone?
1-[5-(2-chloro-5-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-(2-chloro-5-fluorophenyl)furan-2-yl]ethanone is sourced from PubChem (CID 107530720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).