1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone

C13H11FO2 — CID 62500345

IUPAC1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C)c(F)c2)o1
InChIInChI=1S/C13H11FO2/c1-8-3-4-10(7-11(8)14)13-6-5-12(16-13)9(2)15/h3-7H,1-2H3
InChIKeyRUKVJZRPCCJNBA-UHFFFAOYSA-N
MW218.23 g/mol
LogP3.60
Rot. Bonds2

About 1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone

1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone (PubChem CID 62500345) has the molecular formula C13H11FO2 and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone
PubChem CID62500345
Molecular FormulaC13H11FO2
Molecular Weight218.23 g/mol
Exact Mass218.07
IUPAC Name1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C)c(F)c2)o1
InChIInChI=1S/C13H11FO2/c1-8-3-4-10(7-11(8)14)13-6-5-12(16-13)9(2)15/h3-7H,1-2H3
InChIKeyRUKVJZRPCCJNBA-UHFFFAOYSA-N
XLogP3.60
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone (CID 62500345) is 1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone is CC(=O)c1ccc(-c2ccc(C)c(F)c2)o1.
What is the InChIKey of 1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone?
The InChIKey is RUKVJZRPCCJNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2/c1-8-3-4-10(7-11(8)14)13-6-5-12(16-13)9(2)15/h3-7H,1-2H3.
What are the key properties of 1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone?
1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone has a molecular weight of 218.23 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone is sourced from PubChem (CID 62500345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).