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

C5H6F2O4 — CID 10820987

IUPAC(4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1O[C@@H](CO)[C@H](O)C1(F)F
InChIInChI=1S/C5H6F2O4/c6-5(7)3(9)2(1-8)11-4(5)10/h2-3,8-9H,1H2/t2-,3-/m0/s1
InChIKeyFBXJTMLCLDWDQO-HRFVKAFMSA-N
MW168.09 g/mol
LogP-1.10
Rot. Bonds1

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

(4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one (PubChem CID 10820987) has the molecular formula C5H6F2O4 and a molecular weight of 168.09 g/mol. Its IUPAC name is (4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one
PubChem CID10820987
Molecular FormulaC5H6F2O4
Molecular Weight168.09 g/mol
Exact Mass168.02
IUPAC Name(4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1O[C@@H](CO)[C@H](O)C1(F)F
InChIInChI=1S/C5H6F2O4/c6-5(7)3(9)2(1-8)11-4(5)10/h2-3,8-9H,1H2/t2-,3-/m0/s1
InChIKeyFBXJTMLCLDWDQO-HRFVKAFMSA-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

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Related Compounds

2-Deoxy-D-Ribono-1,4-Lactone
CID 161815
4-Hydroxy-5-(hydroxymethyl)oxolan-2-one
CID 4635870
L-threo-Pentonic acid, 2-deoxy-, gamma-lactone
CID 10942458
2-Deoxy-L-erythro-pentono-gamma-lactone
CID 10240836
Acetic acid (2S,3R)-2-hydroxymethyl-5-oxo-tetrahydro-furan-3-yl ester
CID 44276164
3,3-Difluoro-4-hydroxy-5-hydroxymethyl-dihydro-furan-2-one
CID 13477302
(3R,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyldihydrofuran-2(3H)-one
CID 56605413
(4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one
CID 66884134
(3S,4R,5R)-3-bromo-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one
CID 129096298
(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2,2,2-trifluoroethyl)oxolan-2-one
CID 102223813
(3R,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one
CID 177545857
2-Deoxyxylono-1,4-lactone
CID 9793780

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one?
The IUPAC name of (4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one (CID 10820987) is (4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for (4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for (4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one is O=C1O[C@@H](CO)[C@H](O)C1(F)F.
What is the InChIKey of (4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one?
The InChIKey is FBXJTMLCLDWDQO-HRFVKAFMSA-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/t2-,3-/m0/s1.
What are the key properties of (4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one?
(4S,5S)-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 (4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 10820987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).