2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol

C5H10FNO2 — CID 57439190

IUPAC2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1CNC(F)C1O
InChIInChI=1S/C5H10FNO2/c6-5-4(9)3(2-8)1-7-5/h3-5,7-9H,1-2H2
InChIKeyNGWKEVMCTIVMBA-UHFFFAOYSA-N
MW135.14 g/mol
LogP-1.15
Rot. Bonds1

About 2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol

2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 57439190) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is 2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID57439190
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1CNC(F)C1O
InChIInChI=1S/C5H10FNO2/c6-5-4(9)3(2-8)1-7-5/h3-5,7-9H,1-2H2
InChIKeyNGWKEVMCTIVMBA-UHFFFAOYSA-N
XLogP-1.15
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-fluoro-4-(hydroxymethyl)pyrrolidin-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 2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol (CID 57439190) is 2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol is OCC1CNC(F)C1O.
What is the InChIKey of 2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is NGWKEVMCTIVMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2/c6-5-4(9)3(2-8)1-7-5/h3-5,7-9H,1-2H2.
What are the key properties of 2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol?
2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 135.14 g/mol, XLogP of -1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 57439190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).