2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone

C13H10ClFO2 — CID 115815694

IUPAC2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Cl)cc2F)o1
InChIInChI=1S/C13H10ClFO2/c1-8-2-5-13(17-8)12(16)6-9-3-4-10(14)7-11(9)15/h2-5,7H,6H2,1H3
InChIKeyXMPBMDDFPWPWSI-UHFFFAOYSA-N
MW252.67 g/mol
LogP3.81
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone

2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone (PubChem CID 115815694) has the molecular formula C13H10ClFO2 and a molecular weight of 252.67 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone
PubChem CID115815694
Molecular FormulaC13H10ClFO2
Molecular Weight252.67 g/mol
Exact Mass252.04
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Cl)cc2F)o1
InChIInChI=1S/C13H10ClFO2/c1-8-2-5-13(17-8)12(16)6-9-3-4-10(14)7-11(9)15/h2-5,7H,6H2,1H3
InChIKeyXMPBMDDFPWPWSI-UHFFFAOYSA-N
XLogP3.81
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-1-(5-methylfuran-2-yl)ethanone
CID 114963994
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone
CID 114963390
2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106690925
2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105135626
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 115816050
1-[5-(4-chloro-2-fluorophenyl)furan-2-yl]propan-1-one
CID 55097729
2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone
CID 114967718
1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446096
2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105135709
1-(3-bromo-4-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114854275

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone (CID 115815694) is 2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone is Cc1ccc(C(=O)Cc2ccc(Cl)cc2F)o1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone?
The InChIKey is XMPBMDDFPWPWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2/c1-8-2-5-13(17-8)12(16)6-9-3-4-10(14)7-11(9)15/h2-5,7H,6H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone?
2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone has a molecular weight of 252.67 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone is sourced from PubChem (CID 115815694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).