3-amino-1,1-difluoropropan-2-ol;hydrochloride

C3H8ClF2NO — CID 75525849

IUPAC3-amino-1,1-difluoropropan-2-ol;hydrochloride
SMILESCl.NCC(O)C(F)F
InChIInChI=1S/C3H7F2NO.ClH/c4-3(5)2(7)1-6;/h2-3,7H,1,6H2;1H
InChIKeyWVJAYUYYVOVTCS-UHFFFAOYSA-N
MW147.55 g/mol
LogP-0.01
Rot. Bonds2

About 3-amino-1,1-difluoropropan-2-ol;hydrochloride

3-amino-1,1-difluoropropan-2-ol;hydrochloride (PubChem CID 75525849) has the molecular formula C3H8ClF2NO and a molecular weight of 147.55 g/mol. Its IUPAC name is 3-amino-1,1-difluoropropan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-1,1-difluoropropan-2-ol;hydrochloride
PubChem CID75525849
Molecular FormulaC3H8ClF2NO
Molecular Weight147.55 g/mol
Exact Mass147.03
IUPAC Name3-amino-1,1-difluoropropan-2-ol;hydrochloride
SMILESCl.NCC(O)C(F)F
InChIInChI=1S/C3H7F2NO.ClH/c4-3(5)2(7)1-6;/h2-3,7H,1,6H2;1H
InChIKeyWVJAYUYYVOVTCS-UHFFFAOYSA-N
XLogP-0.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.55
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1,1-difluoropropan-2-ol;hydrochloride 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-amino-1,1-difluoropropan-2-ol;hydrochloride?
The IUPAC name of 3-amino-1,1-difluoropropan-2-ol;hydrochloride (CID 75525849) is 3-amino-1,1-difluoropropan-2-ol;hydrochloride.
What is the SMILES notation for 3-amino-1,1-difluoropropan-2-ol;hydrochloride?
The canonical SMILES for 3-amino-1,1-difluoropropan-2-ol;hydrochloride is Cl.NCC(O)C(F)F.
What is the InChIKey of 3-amino-1,1-difluoropropan-2-ol;hydrochloride?
The InChIKey is WVJAYUYYVOVTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO.ClH/c4-3(5)2(7)1-6;/h2-3,7H,1,6H2;1H.
What are the key properties of 3-amino-1,1-difluoropropan-2-ol;hydrochloride?
3-amino-1,1-difluoropropan-2-ol;hydrochloride has a molecular weight of 147.55 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1-difluoropropan-2-ol;hydrochloride is sourced from PubChem (CID 75525849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).