1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone

C12H8ClFO2 — CID 106687670

IUPAC1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1ccoc1Cl
InChIInChI=1S/C12H8ClFO2/c13-12-10(5-6-16-12)11(15)7-8-1-3-9(14)4-2-8/h1-6H,7H2
InChIKeySGOMIXJTGQNTBR-UHFFFAOYSA-N
MW238.65 g/mol
LogP3.50
Rot. Bonds3

About 1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone

1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 106687670) has the molecular formula C12H8ClFO2 and a molecular weight of 238.65 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone
PubChem CID106687670
Molecular FormulaC12H8ClFO2
Molecular Weight238.65 g/mol
Exact Mass238.02
IUPAC Name1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1ccoc1Cl
InChIInChI=1S/C12H8ClFO2/c13-12-10(5-6-16-12)11(15)7-8-1-3-9(14)4-2-8/h1-6H,7H2
InChIKeySGOMIXJTGQNTBR-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

1-(2-chlorofuran-3-yl)-2-(4-chlorophenyl)ethanone
CID 106687672
1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone
CID 106691035
1-(2-bromofuran-3-yl)-2-(4-fluorophenyl)ethanone
CID 106854606
1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone
CID 106687666
1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 106687696
1-(2-chlorofuran-3-yl)-2-(3,5-dimethylphenyl)ethanone
CID 106690860
1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanone
CID 106687680
2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone
CID 106267777
(2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone
CID 106691354
1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone
CID 130917911
1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
CID 63410277
1-(2-chlorofuran-3-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 106691198

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone (CID 106687670) is 1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is SGOMIXJTGQNTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO2/c13-12-10(5-6-16-12)11(15)7-8-1-3-9(14)4-2-8/h1-6H,7H2.
What are the key properties of 1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone?
1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)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 1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 106687670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).