(2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile

C6H8FNO3 — CID 131845917

IUPAC(2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
SMILESN#C[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O
InChIInChI=1S/C6H8FNO3/c7-5-4(2-9)11-3(1-8)6(5)10/h3-6,9-10H,2H2/t3-,4+,5+,6-/m0/s1
InChIKeyHATFRYLSBILYHD-KCDKBNATSA-N
MW161.13 g/mol
LogP-1.03
Rot. Bonds1

About (2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile

(2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile (PubChem CID 131845917) has the molecular formula C6H8FNO3 and a molecular weight of 161.13 g/mol. Its IUPAC name is (2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile.

Molecular Properties

Compound Name(2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
PubChem CID131845917
Molecular FormulaC6H8FNO3
Molecular Weight161.13 g/mol
Exact Mass161.05
IUPAC Name(2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
SMILESN#C[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O
InChIInChI=1S/C6H8FNO3/c7-5-4(2-9)11-3(1-8)6(5)10/h3-6,9-10H,2H2/t3-,4+,5+,6-/m0/s1
InChIKeyHATFRYLSBILYHD-KCDKBNATSA-N
XLogP-1.03
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile 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,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
The IUPAC name of (2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile (CID 131845917) is (2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile.
What is the SMILES notation for (2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
The canonical SMILES for (2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile is N#C[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
The InChIKey is HATFRYLSBILYHD-KCDKBNATSA-N. The full InChI is InChI=1S/C6H8FNO3/c7-5-4(2-9)11-3(1-8)6(5)10/h3-6,9-10H,2H2/t3-,4+,5+,6-/m0/s1.
What are the key properties of (2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
(2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile has a molecular weight of 161.13 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile is sourced from PubChem (CID 131845917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).