3-(2,2-difluorocyclopropyl)-2-hydroxypropanal

C6H8F2O2 — CID 170900342

IUPAC3-(2,2-difluorocyclopropyl)-2-hydroxypropanal
SMILESO=CC(O)CC1CC1(F)F
InChIInChI=1S/C6H8F2O2/c7-6(8)2-4(6)1-5(10)3-9/h3-5,10H,1-2H2
InChIKeyXJLJNHGZBRZLHJ-UHFFFAOYSA-N
MW150.12 g/mol
LogP0.59
Rot. Bonds3

About 3-(2,2-difluorocyclopropyl)-2-hydroxypropanal

3-(2,2-difluorocyclopropyl)-2-hydroxypropanal (PubChem CID 170900342) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)-2-hydroxypropanal.

Molecular Properties

Compound Name3-(2,2-difluorocyclopropyl)-2-hydroxypropanal
PubChem CID170900342
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name3-(2,2-difluorocyclopropyl)-2-hydroxypropanal
SMILESO=CC(O)CC1CC1(F)F
InChIInChI=1S/C6H8F2O2/c7-6(8)2-4(6)1-5(10)3-9/h3-5,10H,1-2H2
InChIKeyXJLJNHGZBRZLHJ-UHFFFAOYSA-N
XLogP0.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluorocyclopropyl)-2-hydroxypropanal 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-(2,2-difluorocyclopropyl)-2-hydroxypropanal?
The IUPAC name of 3-(2,2-difluorocyclopropyl)-2-hydroxypropanal (CID 170900342) is 3-(2,2-difluorocyclopropyl)-2-hydroxypropanal.
What is the SMILES notation for 3-(2,2-difluorocyclopropyl)-2-hydroxypropanal?
The canonical SMILES for 3-(2,2-difluorocyclopropyl)-2-hydroxypropanal is O=CC(O)CC1CC1(F)F.
What is the InChIKey of 3-(2,2-difluorocyclopropyl)-2-hydroxypropanal?
The InChIKey is XJLJNHGZBRZLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c7-6(8)2-4(6)1-5(10)3-9/h3-5,10H,1-2H2.
What are the key properties of 3-(2,2-difluorocyclopropyl)-2-hydroxypropanal?
3-(2,2-difluorocyclopropyl)-2-hydroxypropanal has a molecular weight of 150.12 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorocyclopropyl)-2-hydroxypropanal is sourced from PubChem (CID 170900342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).