4,4-difluoropyrrolidin-2-ol

C4H7F2NO — CID 142198674

IUPAC4,4-difluoropyrrolidin-2-ol
SMILESOC1CC(F)(F)CN1
InChIInChI=1S/C4H7F2NO/c5-4(6)1-3(8)7-2-4/h3,7-8H,1-2H2
InChIKeySGQAZIBWXLXPOQ-UHFFFAOYSA-N
MW123.10 g/mol
LogP-0.07
Rot. Bonds

About 4,4-difluoropyrrolidin-2-ol

4,4-difluoropyrrolidin-2-ol (PubChem CID 142198674) has the molecular formula C4H7F2NO and a molecular weight of 123.10 g/mol. Its IUPAC name is 4,4-difluoropyrrolidin-2-ol.

Molecular Properties

Compound Name4,4-difluoropyrrolidin-2-ol
PubChem CID142198674
Molecular FormulaC4H7F2NO
Molecular Weight123.10 g/mol
Exact Mass123.05
IUPAC Name4,4-difluoropyrrolidin-2-ol
SMILESOC1CC(F)(F)CN1
InChIInChI=1S/C4H7F2NO/c5-4(6)1-3(8)7-2-4/h3,7-8H,1-2H2
InChIKeySGQAZIBWXLXPOQ-UHFFFAOYSA-N
XLogP-0.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.10
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoropyrrolidin-2-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 4,4-difluoropyrrolidin-2-ol?
The IUPAC name of 4,4-difluoropyrrolidin-2-ol (CID 142198674) is 4,4-difluoropyrrolidin-2-ol.
What is the SMILES notation for 4,4-difluoropyrrolidin-2-ol?
The canonical SMILES for 4,4-difluoropyrrolidin-2-ol is OC1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoropyrrolidin-2-ol?
The InChIKey is SGQAZIBWXLXPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO/c5-4(6)1-3(8)7-2-4/h3,7-8H,1-2H2.
What are the key properties of 4,4-difluoropyrrolidin-2-ol?
4,4-difluoropyrrolidin-2-ol has a molecular weight of 123.10 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropyrrolidin-2-ol is sourced from PubChem (CID 142198674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).