3-(2,2-difluoroethylamino)propan-1-ol

C5H11F2NO — CID 60923074

IUPAC3-(2,2-difluoroethylamino)propan-1-ol
SMILESOCCCNCC(F)F
InChIInChI=1S/C5H11F2NO/c6-5(7)4-8-2-1-3-9/h5,8-9H,1-4H2
InChIKeyHUMOPTSGUIUNKM-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.22
Rot. Bonds5

About 3-(2,2-difluoroethylamino)propan-1-ol

3-(2,2-difluoroethylamino)propan-1-ol (PubChem CID 60923074) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)propan-1-ol
PubChem CID60923074
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC Name3-(2,2-difluoroethylamino)propan-1-ol
SMILESOCCCNCC(F)F
InChIInChI=1S/C5H11F2NO/c6-5(7)4-8-2-1-3-9/h5,8-9H,1-4H2
InChIKeyHUMOPTSGUIUNKM-UHFFFAOYSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethylamino)propan-1-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 3-(2,2-difluoroethylamino)propan-1-ol?
The IUPAC name of 3-(2,2-difluoroethylamino)propan-1-ol (CID 60923074) is 3-(2,2-difluoroethylamino)propan-1-ol.
What is the SMILES notation for 3-(2,2-difluoroethylamino)propan-1-ol?
The canonical SMILES for 3-(2,2-difluoroethylamino)propan-1-ol is OCCCNCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethylamino)propan-1-ol?
The InChIKey is HUMOPTSGUIUNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c6-5(7)4-8-2-1-3-9/h5,8-9H,1-4H2.
What are the key properties of 3-(2,2-difluoroethylamino)propan-1-ol?
3-(2,2-difluoroethylamino)propan-1-ol has a molecular weight of 139.15 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylamino)propan-1-ol is sourced from PubChem (CID 60923074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).