2-(difluoromethoxy)ethylazanium chloride

C3H8ClF2NO — CID 137379967

IUPAC2-(difluoromethoxy)ethylazanium chloride
SMILES[Cl-].[NH3+]CCOC(F)F
InChIInChI=1S/C3H7F2NO.ClH/c4-3(5)7-2-1-6;/h3H,1-2,6H2;1H
InChIKeyQEOOBHBQKDIZFN-UHFFFAOYSA-N
MW147.55 g/mol
LogP-3.53
Rot. Bonds3

About 2-(difluoromethoxy)ethylazanium chloride

2-(difluoromethoxy)ethylazanium chloride (PubChem CID 137379967) has the molecular formula C3H8ClF2NO and a molecular weight of 147.55 g/mol. Its IUPAC name is 2-(difluoromethoxy)ethylazanium chloride.

Molecular Properties

Compound Name2-(difluoromethoxy)ethylazanium chloride
PubChem CID137379967
Molecular FormulaC3H8ClF2NO
Molecular Weight147.55 g/mol
Exact Mass147.03
IUPAC Name2-(difluoromethoxy)ethylazanium chloride
SMILES[Cl-].[NH3+]CCOC(F)F
InChIInChI=1S/C3H7F2NO.ClH/c4-3(5)7-2-1-6;/h3H,1-2,6H2;1H
InChIKeyQEOOBHBQKDIZFN-UHFFFAOYSA-N
XLogP-3.53
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.55
LogP ≤ 5-3.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(difluoromethoxy)ethylazanium chloride 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)ethylazanium chloride?
The IUPAC name of 2-(difluoromethoxy)ethylazanium chloride (CID 137379967) is 2-(difluoromethoxy)ethylazanium chloride.
What is the SMILES notation for 2-(difluoromethoxy)ethylazanium chloride?
The canonical SMILES for 2-(difluoromethoxy)ethylazanium chloride is [Cl-].[NH3+]CCOC(F)F.
What is the InChIKey of 2-(difluoromethoxy)ethylazanium chloride?
The InChIKey is QEOOBHBQKDIZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO.ClH/c4-3(5)7-2-1-6;/h3H,1-2,6H2;1H.
What are the key properties of 2-(difluoromethoxy)ethylazanium chloride?
2-(difluoromethoxy)ethylazanium chloride has a molecular weight of 147.55 g/mol, XLogP of -3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)ethylazanium chloride is sourced from PubChem (CID 137379967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).