3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one

C5H6F2O4 — CID 13477302

IUPAC3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1OC(CO)C(O)C1(F)F
InChIInChI=1S/C5H6F2O4/c6-5(7)3(9)2(1-8)11-4(5)10/h2-3,8-9H,1H2
InChIKeyFBXJTMLCLDWDQO-UHFFFAOYSA-N
MW168.09 g/mol
LogP-1.10
Rot. Bonds1

About 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one

3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one (PubChem CID 13477302) has the molecular formula C5H6F2O4 and a molecular weight of 168.09 g/mol. Its IUPAC name is 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one
PubChem CID13477302
Molecular FormulaC5H6F2O4
Molecular Weight168.09 g/mol
Exact Mass168.02
IUPAC Name3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1OC(CO)C(O)C1(F)F
InChIInChI=1S/C5H6F2O4/c6-5(7)3(9)2(1-8)11-4(5)10/h2-3,8-9H,1H2
InChIKeyFBXJTMLCLDWDQO-UHFFFAOYSA-N
XLogP-1.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.09
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-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

(3S)-3-bromo-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one
CID 170836452
(4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 66795801
(3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 58701530
(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 11513798
(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
(6R,7S)-7-chloro-6-(hydroxymethyl)-5-oxaspiro[2.4]heptan-4-one
CID 53375971
3,3-difluoro-4-phosphanyloxy-5-(phosphanyloxymethyl)oxolan-2-one
CID 58891803
(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 14057748
(4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one
CID 91410550
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
(2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 150112365
(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 144754191

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one?
The IUPAC name of 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one (CID 13477302) is 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one is O=C1OC(CO)C(O)C1(F)F.
What is the InChIKey of 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one?
The InChIKey is FBXJTMLCLDWDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O4/c6-5(7)3(9)2(1-8)11-4(5)10/h2-3,8-9H,1H2.
What are the key properties of 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one?
3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one has a molecular weight of 168.09 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 13477302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).