2-(4-fluorophenyl)-4-methyl-2H-furan-5-one

C11H9FO2 — CID 138964232

IUPAC2-(4-fluorophenyl)-4-methyl-2H-furan-5-one
SMILESCC1=CC(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C11H9FO2/c1-7-6-10(14-11(7)13)8-2-4-9(12)5-3-8/h2-6,10H,1H3
InChIKeyMLMLNACWSSYUCE-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.37
Rot. Bonds1

About 2-(4-fluorophenyl)-4-methyl-2H-furan-5-one

2-(4-fluorophenyl)-4-methyl-2H-furan-5-one (PubChem CID 138964232) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-2H-furan-5-one
PubChem CID138964232
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Name2-(4-fluorophenyl)-4-methyl-2H-furan-5-one
SMILESCC1=CC(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C11H9FO2/c1-7-6-10(14-11(7)13)8-2-4-9(12)5-3-8/h2-6,10H,1H3
InChIKeyMLMLNACWSSYUCE-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-2H-furan-5-one?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-2H-furan-5-one (CID 138964232) is 2-(4-fluorophenyl)-4-methyl-2H-furan-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-2H-furan-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-2H-furan-5-one is CC1=CC(c2ccc(F)cc2)OC1=O.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-2H-furan-5-one?
The InChIKey is MLMLNACWSSYUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO2/c1-7-6-10(14-11(7)13)8-2-4-9(12)5-3-8/h2-6,10H,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-methyl-2H-furan-5-one?
2-(4-fluorophenyl)-4-methyl-2H-furan-5-one has a molecular weight of 192.19 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-2H-furan-5-one is sourced from PubChem (CID 138964232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).