(2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol

C7H13FO3 — CID 122450268

IUPAC(2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol
SMILESC[C@@H]1O[C@H](CO)[C@H](F)C1(C)O
InChIInChI=1S/C7H13FO3/c1-4-7(2,10)6(8)5(3-9)11-4/h4-6,9-10H,3H2,1-2H3/t4-,5+,6-,7?/m0/s1
InChIKeyAPKVUCNKDXLCTL-KYDWDHDXSA-N
MW164.18 g/mol
LogP-0.14
Rot. Bonds1

About (2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol

(2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol (PubChem CID 122450268) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is (2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol.

Molecular Properties

Compound Name(2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol
PubChem CID122450268
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Name(2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol
SMILESC[C@@H]1O[C@H](CO)[C@H](F)C1(C)O
InChIInChI=1S/C7H13FO3/c1-4-7(2,10)6(8)5(3-9)11-4/h4-6,9-10H,3H2,1-2H3/t4-,5+,6-,7?/m0/s1
InChIKeyAPKVUCNKDXLCTL-KYDWDHDXSA-N
XLogP-0.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol 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 (2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol?
The IUPAC name of (2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol (CID 122450268) is (2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol.
What is the SMILES notation for (2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol?
The canonical SMILES for (2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol is C[C@@H]1O[C@H](CO)[C@H](F)C1(C)O.
What is the InChIKey of (2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol?
The InChIKey is APKVUCNKDXLCTL-KYDWDHDXSA-N. The full InChI is InChI=1S/C7H13FO3/c1-4-7(2,10)6(8)5(3-9)11-4/h4-6,9-10H,3H2,1-2H3/t4-,5+,6-,7?/m0/s1.
What are the key properties of (2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol?
(2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol has a molecular weight of 164.18 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol is sourced from PubChem (CID 122450268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).