3,4-difluoro-2-methyl-2H-furan-5-one

C5H4F2O2 — CID 101441521

IUPAC3,4-difluoro-2-methyl-2H-furan-5-one
SMILESCC1OC(=O)C(F)=C1F
InChIInChI=1S/C5H4F2O2/c1-2-3(6)4(7)5(8)9-2/h2H,1H3
InChIKeyRKSPMGDYOGQNKB-UHFFFAOYSA-N
MW134.08 g/mol
LogP1.08
Rot. Bonds

About 3,4-difluoro-2-methyl-2H-furan-5-one

3,4-difluoro-2-methyl-2H-furan-5-one (PubChem CID 101441521) has the molecular formula C5H4F2O2 and a molecular weight of 134.08 g/mol. Its IUPAC name is 3,4-difluoro-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name3,4-difluoro-2-methyl-2H-furan-5-one
PubChem CID101441521
Molecular FormulaC5H4F2O2
Molecular Weight134.08 g/mol
Exact Mass134.02
IUPAC Name3,4-difluoro-2-methyl-2H-furan-5-one
SMILESCC1OC(=O)C(F)=C1F
InChIInChI=1S/C5H4F2O2/c1-2-3(6)4(7)5(8)9-2/h2H,1H3
InChIKeyRKSPMGDYOGQNKB-UHFFFAOYSA-N
XLogP1.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.08
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-difluoro-2-methyl-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-methyl-2H-furan-5-one?
The IUPAC name of 3,4-difluoro-2-methyl-2H-furan-5-one (CID 101441521) is 3,4-difluoro-2-methyl-2H-furan-5-one.
What is the SMILES notation for 3,4-difluoro-2-methyl-2H-furan-5-one?
The canonical SMILES for 3,4-difluoro-2-methyl-2H-furan-5-one is CC1OC(=O)C(F)=C1F.
What is the InChIKey of 3,4-difluoro-2-methyl-2H-furan-5-one?
The InChIKey is RKSPMGDYOGQNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2O2/c1-2-3(6)4(7)5(8)9-2/h2H,1H3.
What are the key properties of 3,4-difluoro-2-methyl-2H-furan-5-one?
3,4-difluoro-2-methyl-2H-furan-5-one has a molecular weight of 134.08 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-methyl-2H-furan-5-one is sourced from PubChem (CID 101441521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).