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

C12H8ClFO2 — CID 103047974

IUPAC2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1F)c1ccco1
InChIInChI=1S/C12H8ClFO2/c13-9-3-4-10(14)8(6-9)7-11(15)12-2-1-5-16-12/h1-6H,7H2
InChIKeyURIYXNIMSAJREK-UHFFFAOYSA-N
MW238.65 g/mol
LogP3.50
Rot. Bonds3

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

2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone (PubChem CID 103047974) has the molecular formula C12H8ClFO2 and a molecular weight of 238.65 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone
PubChem CID103047974
Molecular FormulaC12H8ClFO2
Molecular Weight238.65 g/mol
Exact Mass238.02
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1F)c1ccco1
InChIInChI=1S/C12H8ClFO2/c13-9-3-4-10(14)8(6-9)7-11(15)12-2-1-5-16-12/h1-6H,7H2
InChIKeyURIYXNIMSAJREK-UHFFFAOYSA-N
XLogP3.50
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(furan-2-yl)ethanone
CID 11096153
2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethanone
CID 62716973
2-(2-chlorophenyl)-1-(furan-2-yl)ethanone
CID 61055441
2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone
CID 64636306
3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one
CID 175418899
2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone
CID 65126472
2-(5-chloroindol-1-yl)-1-(furan-2-yl)ethanone
CID 63877831
1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047928
2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106690925
1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052370
1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052464
2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone
CID 60624476

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone (CID 103047974) is 2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone is O=C(Cc1cc(Cl)ccc1F)c1ccco1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone?
The InChIKey is URIYXNIMSAJREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO2/c13-9-3-4-10(14)8(6-9)7-11(15)12-2-1-5-16-12/h1-6H,7H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone?
2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone has a molecular weight of 238.65 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone is sourced from PubChem (CID 103047974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).