1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone

C13H10F2O2 — CID 115795792

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone
SMILESCc1ccc(F)c(C(=O)Cc2ccoc2)c1F
InChIInChI=1S/C13H10F2O2/c1-8-2-3-10(14)12(13(8)15)11(16)6-9-4-5-17-7-9/h2-5,7H,6H2,1H3
InChIKeyLLGZPLFCERLMHS-UHFFFAOYSA-N
MW236.22 g/mol
LogP3.29
Rot. Bonds3

About 1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone

1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone (PubChem CID 115795792) has the molecular formula C13H10F2O2 and a molecular weight of 236.22 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone
PubChem CID115795792
Molecular FormulaC13H10F2O2
Molecular Weight236.22 g/mol
Exact Mass236.06
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone
SMILESCc1ccc(F)c(C(=O)Cc2ccoc2)c1F
InChIInChI=1S/C13H10F2O2/c1-8-2-3-10(14)12(13(8)15)11(16)6-9-4-5-17-7-9/h2-5,7H,6H2,1H3
InChIKeyLLGZPLFCERLMHS-UHFFFAOYSA-N
XLogP3.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 82819556
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 103042811
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82814391
1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone
CID 83171971
1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114963999
1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974389
2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115795779
2-(2-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82815251
1-(2,6-difluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
CID 105124464
1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone
CID 115795910
1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 106941686
1-(2,6-difluoro-3-methylphenyl)-2-(propylamino)ethanone
CID 116562947

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone (CID 115795792) is 1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone is Cc1ccc(F)c(C(=O)Cc2ccoc2)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone?
The InChIKey is LLGZPLFCERLMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O2/c1-8-2-3-10(14)12(13(8)15)11(16)6-9-4-5-17-7-9/h2-5,7H,6H2,1H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone?
1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone has a molecular weight of 236.22 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone is sourced from PubChem (CID 115795792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).