1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone

C14H13FO2 — CID 102366766

IUPAC1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone
SMILESCC(=O)c1cc(Cc2ccc(F)cc2)oc1C
InChIInChI=1S/C14H13FO2/c1-9(16)14-8-13(17-10(14)2)7-11-3-5-12(15)6-4-11/h3-6,8H,7H2,1-2H3
InChIKeyJWWWFNABSODOQD-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.52
Rot. Bonds3

About 1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone

1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone (PubChem CID 102366766) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone
PubChem CID102366766
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone
SMILESCC(=O)c1cc(Cc2ccc(F)cc2)oc1C
InChIInChI=1S/C14H13FO2/c1-9(16)14-8-13(17-10(14)2)7-11-3-5-12(15)6-4-11/h3-6,8H,7H2,1-2H3
InChIKeyJWWWFNABSODOQD-UHFFFAOYSA-N
XLogP3.52
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone?
The IUPAC name of 1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone (CID 102366766) is 1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone.
What is the SMILES notation for 1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone?
The canonical SMILES for 1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone is CC(=O)c1cc(Cc2ccc(F)cc2)oc1C.
What is the InChIKey of 1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone?
The InChIKey is JWWWFNABSODOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c1-9(16)14-8-13(17-10(14)2)7-11-3-5-12(15)6-4-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone?
1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone has a molecular weight of 232.25 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-fluorophenyl)methyl]-2-methylfuran-3-yl]ethanone is sourced from PubChem (CID 102366766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).