3,3-difluoropyrrolidine-1-carbaldehyde

C5H7F2NO — CID 57455265

IUPAC3,3-difluoropyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(F)(F)C1
InChIInChI=1S/C5H7F2NO/c6-5(7)1-2-8(3-5)4-9/h4H,1-3H2
InChIKeyYCUPJMVPTQEKTH-UHFFFAOYSA-N
MW135.11 g/mol
LogP0.48
Rot. Bonds1

About 3,3-difluoropyrrolidine-1-carbaldehyde

3,3-difluoropyrrolidine-1-carbaldehyde (PubChem CID 57455265) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is 3,3-difluoropyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3,3-difluoropyrrolidine-1-carbaldehyde
PubChem CID57455265
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name3,3-difluoropyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(F)(F)C1
InChIInChI=1S/C5H7F2NO/c6-5(7)1-2-8(3-5)4-9/h4H,1-3H2
InChIKeyYCUPJMVPTQEKTH-UHFFFAOYSA-N
XLogP0.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3,3-difluoropyrrolidine-1-carbaldehyde 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 3,3-difluoropyrrolidine-1-carbaldehyde?
The IUPAC name of 3,3-difluoropyrrolidine-1-carbaldehyde (CID 57455265) is 3,3-difluoropyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3,3-difluoropyrrolidine-1-carbaldehyde?
The canonical SMILES for 3,3-difluoropyrrolidine-1-carbaldehyde is O=CN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoropyrrolidine-1-carbaldehyde?
The InChIKey is YCUPJMVPTQEKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO/c6-5(7)1-2-8(3-5)4-9/h4H,1-3H2.
What are the key properties of 3,3-difluoropyrrolidine-1-carbaldehyde?
3,3-difluoropyrrolidine-1-carbaldehyde has a molecular weight of 135.11 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropyrrolidine-1-carbaldehyde is sourced from PubChem (CID 57455265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).