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

C6H8FNO3 — CID 150825432

IUPAC3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
SMILESN#CC1OC(CO)C(O)C1F
InChIInChI=1S/C6H8FNO3/c7-5-3(1-8)11-4(2-9)6(5)10/h3-6,9-10H,2H2
InChIKeyKKVAKUWOGQHVOQ-UHFFFAOYSA-N
MW161.13 g/mol
LogP-1.03
Rot. Bonds1

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

3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile (PubChem CID 150825432) has the molecular formula C6H8FNO3 and a molecular weight of 161.13 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
PubChem CID150825432
Molecular FormulaC6H8FNO3
Molecular Weight161.13 g/mol
Exact Mass161.05
IUPAC Name3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
SMILESN#CC1OC(CO)C(O)C1F
InChIInChI=1S/C6H8FNO3/c7-5-3(1-8)11-4(2-9)6(5)10/h3-6,9-10H,2H2
InChIKeyKKVAKUWOGQHVOQ-UHFFFAOYSA-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 3-fluoro-4-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 3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
The IUPAC name of 3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile (CID 150825432) is 3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile.
What is the SMILES notation for 3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
The canonical SMILES for 3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile is N#CC1OC(CO)C(O)C1F.
What is the InChIKey of 3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
The InChIKey is KKVAKUWOGQHVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO3/c7-5-3(1-8)11-4(2-9)6(5)10/h3-6,9-10H,2H2.
What are the key properties of 3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile?
3-fluoro-4-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 3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile is sourced from PubChem (CID 150825432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).