2-(difluoromethoxy)propan-1-amine

C4H9F2NO — CID 84716057

IUPAC2-(difluoromethoxy)propan-1-amine
SMILESCC(CN)OC(F)F
InChIInChI=1S/C4H9F2NO/c1-3(2-7)8-4(5)6/h3-4H,2,7H2,1H3
InChIKeyBMIRIMLLLFJLAN-UHFFFAOYSA-N
MW125.12 g/mol
LogP0.57
Rot. Bonds3

About 2-(difluoromethoxy)propan-1-amine

2-(difluoromethoxy)propan-1-amine (PubChem CID 84716057) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 2-(difluoromethoxy)propan-1-amine.

Molecular Properties

Compound Name2-(difluoromethoxy)propan-1-amine
PubChem CID84716057
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name2-(difluoromethoxy)propan-1-amine
SMILESCC(CN)OC(F)F
InChIInChI=1S/C4H9F2NO/c1-3(2-7)8-4(5)6/h3-4H,2,7H2,1H3
InChIKeyBMIRIMLLLFJLAN-UHFFFAOYSA-N
XLogP0.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethoxy)propan-1-amine 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 2-(difluoromethoxy)propan-1-amine?
The IUPAC name of 2-(difluoromethoxy)propan-1-amine (CID 84716057) is 2-(difluoromethoxy)propan-1-amine.
What is the SMILES notation for 2-(difluoromethoxy)propan-1-amine?
The canonical SMILES for 2-(difluoromethoxy)propan-1-amine is CC(CN)OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)propan-1-amine?
The InChIKey is BMIRIMLLLFJLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c1-3(2-7)8-4(5)6/h3-4H,2,7H2,1H3.
What are the key properties of 2-(difluoromethoxy)propan-1-amine?
2-(difluoromethoxy)propan-1-amine has a molecular weight of 125.12 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)propan-1-amine is sourced from PubChem (CID 84716057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).