2-(difluoromethyl)-2H-furan-5-one

C5H4F2O2 — CID 10103215

IUPAC2-(difluoromethyl)-2H-furan-5-one
SMILESO=C1C=CC(C(F)F)O1
InChIInChI=1S/C5H4F2O2/c6-5(7)3-1-2-4(8)9-3/h1-3,5H
InChIKeyCWMXIRLUOJTAQF-UHFFFAOYSA-N
MW134.08 g/mol
LogP0.73
Rot. Bonds1

About 2-(difluoromethyl)-2H-furan-5-one

2-(difluoromethyl)-2H-furan-5-one (PubChem CID 10103215) has the molecular formula C5H4F2O2 and a molecular weight of 134.08 g/mol. Its IUPAC name is 2-(difluoromethyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-(difluoromethyl)-2H-furan-5-one
PubChem CID10103215
Molecular FormulaC5H4F2O2
Molecular Weight134.08 g/mol
Exact Mass134.02
IUPAC Name2-(difluoromethyl)-2H-furan-5-one
SMILESO=C1C=CC(C(F)F)O1
InChIInChI=1S/C5H4F2O2/c6-5(7)3-1-2-4(8)9-3/h1-3,5H
InChIKeyCWMXIRLUOJTAQF-UHFFFAOYSA-N
XLogP0.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.08
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethyl)-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

Related Compounds

4-Hydroxy-2-pentenoic acid gamma-lactone
CID 11558
5-ethyl-2(5H)-furanone
CID 16997
(S)-5-methylfuran-2(5H)-one
CID 9548740
Ethyl 5,5,5-trifluoropent-2-enoate
CID 15104041
(R)-5-methylfuran-2(5H)-one
CID 9548741
2(5H)-Furanone, 5-(heptafluoropropyl)-
CID 10015064
(R)-(-)-2-Hexen-4-olid
CID 11137122
2-[(E)-3,3,3-trifluoroprop-1-enyl]-2,3-dihydropyran-6-one
CID 46839264
Hexafluoroisopropyl crotonate
CID 5709610
5-(Trifluoromethyl)furan-2(5H)-one
CID 10419364
(S)-5-Ethylfuran-2(5H)-one
CID 10877078
Methyl (2E)-5,5,5-trifluoro-2-pentenoate
CID 23236308

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2H-furan-5-one?
The IUPAC name of 2-(difluoromethyl)-2H-furan-5-one (CID 10103215) is 2-(difluoromethyl)-2H-furan-5-one.
What is the SMILES notation for 2-(difluoromethyl)-2H-furan-5-one?
The canonical SMILES for 2-(difluoromethyl)-2H-furan-5-one is O=C1C=CC(C(F)F)O1.
What is the InChIKey of 2-(difluoromethyl)-2H-furan-5-one?
The InChIKey is CWMXIRLUOJTAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2O2/c6-5(7)3-1-2-4(8)9-3/h1-3,5H.
What are the key properties of 2-(difluoromethyl)-2H-furan-5-one?
2-(difluoromethyl)-2H-furan-5-one has a molecular weight of 134.08 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2H-furan-5-one is sourced from PubChem (CID 10103215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).