3-(difluoromethylamino)propan-1-ol

C4H9F2NO — CID 87321894

IUPAC3-(difluoromethylamino)propan-1-ol
SMILESOCCCNC(F)F
InChIInChI=1S/C4H9F2NO/c5-4(6)7-2-1-3-8/h4,7-8H,1-3H2
InChIKeyPRIPBJFGXDQWFR-UHFFFAOYSA-N
MW125.12 g/mol
LogP0.18
Rot. Bonds4

About 3-(difluoromethylamino)propan-1-ol

3-(difluoromethylamino)propan-1-ol (PubChem CID 87321894) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 3-(difluoromethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(difluoromethylamino)propan-1-ol
PubChem CID87321894
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name3-(difluoromethylamino)propan-1-ol
SMILESOCCCNC(F)F
InChIInChI=1S/C4H9F2NO/c5-4(6)7-2-1-3-8/h4,7-8H,1-3H2
InChIKeyPRIPBJFGXDQWFR-UHFFFAOYSA-N
XLogP0.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(difluoromethylamino)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-(difluoromethylamino)propan-1-ol?
The IUPAC name of 3-(difluoromethylamino)propan-1-ol (CID 87321894) is 3-(difluoromethylamino)propan-1-ol.
What is the SMILES notation for 3-(difluoromethylamino)propan-1-ol?
The canonical SMILES for 3-(difluoromethylamino)propan-1-ol is OCCCNC(F)F.
What is the InChIKey of 3-(difluoromethylamino)propan-1-ol?
The InChIKey is PRIPBJFGXDQWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c5-4(6)7-2-1-3-8/h4,7-8H,1-3H2.
What are the key properties of 3-(difluoromethylamino)propan-1-ol?
3-(difluoromethylamino)propan-1-ol has a molecular weight of 125.12 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylamino)propan-1-ol is sourced from PubChem (CID 87321894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).