4,5-difluoropyrrolidine-2-carbaldehyde

C5H7F2NO — CID 87229574

IUPAC4,5-difluoropyrrolidine-2-carbaldehyde
SMILESO=CC1CC(F)C(F)N1
InChIInChI=1S/C5H7F2NO/c6-4-1-3(2-9)8-5(4)7/h2-5,8H,1H2
InChIKeyUVDHSGKFEQRHHW-UHFFFAOYSA-N
MW135.11 g/mol
LogP0.18
Rot. Bonds1

About 4,5-difluoropyrrolidine-2-carbaldehyde

4,5-difluoropyrrolidine-2-carbaldehyde (PubChem CID 87229574) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is 4,5-difluoropyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name4,5-difluoropyrrolidine-2-carbaldehyde
PubChem CID87229574
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name4,5-difluoropyrrolidine-2-carbaldehyde
SMILESO=CC1CC(F)C(F)N1
InChIInChI=1S/C5H7F2NO/c6-4-1-3(2-9)8-5(4)7/h2-5,8H,1H2
InChIKeyUVDHSGKFEQRHHW-UHFFFAOYSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5-difluoropyrrolidine-2-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 4,5-difluoropyrrolidine-2-carbaldehyde?
The IUPAC name of 4,5-difluoropyrrolidine-2-carbaldehyde (CID 87229574) is 4,5-difluoropyrrolidine-2-carbaldehyde.
What is the SMILES notation for 4,5-difluoropyrrolidine-2-carbaldehyde?
The canonical SMILES for 4,5-difluoropyrrolidine-2-carbaldehyde is O=CC1CC(F)C(F)N1.
What is the InChIKey of 4,5-difluoropyrrolidine-2-carbaldehyde?
The InChIKey is UVDHSGKFEQRHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO/c6-4-1-3(2-9)8-5(4)7/h2-5,8H,1H2.
What are the key properties of 4,5-difluoropyrrolidine-2-carbaldehyde?
4,5-difluoropyrrolidine-2-carbaldehyde has a molecular weight of 135.11 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoropyrrolidine-2-carbaldehyde is sourced from PubChem (CID 87229574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).