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

C15H15FO2 — CID 66790029

IUPAC1-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]ethanone
SMILESCC(=O)c1oc(C)c(C)c1Cc1ccc(F)cc1
InChIInChI=1S/C15H15FO2/c1-9-11(3)18-15(10(2)17)14(9)8-12-4-6-13(16)7-5-12/h4-7H,8H2,1-3H3
InChIKeyPJDRPBZZVFRXAA-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.83
Rot. Bonds3

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

1-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]ethanone (PubChem CID 66790029) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]ethanone
PubChem CID66790029
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name1-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]ethanone
SMILESCC(=O)c1oc(C)c(C)c1Cc1ccc(F)cc1
InChIInChI=1S/C15H15FO2/c1-9-11(3)18-15(10(2)17)14(9)8-12-4-6-13(16)7-5-12/h4-7H,8H2,1-3H3
InChIKeyPJDRPBZZVFRXAA-UHFFFAOYSA-N
XLogP3.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]ethanone?
The IUPAC name of 1-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]ethanone (CID 66790029) is 1-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]ethanone.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]ethanone?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]ethanone is CC(=O)c1oc(C)c(C)c1Cc1ccc(F)cc1.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]ethanone?
The InChIKey is PJDRPBZZVFRXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2/c1-9-11(3)18-15(10(2)17)14(9)8-12-4-6-13(16)7-5-12/h4-7H,8H2,1-3H3.
What are the key properties of 1-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]ethanone?
1-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]ethanone has a molecular weight of 246.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]ethanone is sourced from PubChem (CID 66790029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).