2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride

C5H10ClF2NO — CID 178200001

IUPAC2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride
SMILESCl.OCC(F)(F)C1CNC1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7,3-9)4-1-8-2-4;/h4,8-9H,1-3H2;1H
InChIKeyQQURBMQEQIWCFI-UHFFFAOYSA-N
MW173.59 g/mol
LogP0.26
Rot. Bonds2

About 2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride

2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride (PubChem CID 178200001) has the molecular formula C5H10ClF2NO and a molecular weight of 173.59 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride
PubChem CID178200001
Molecular FormulaC5H10ClF2NO
Molecular Weight173.59 g/mol
Exact Mass173.04
IUPAC Name2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride
SMILESCl.OCC(F)(F)C1CNC1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7,3-9)4-1-8-2-4;/h4,8-9H,1-3H2;1H
InChIKeyQQURBMQEQIWCFI-UHFFFAOYSA-N
XLogP0.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.59
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(azetidin-3-yl)-2,2-difluoroethanol;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 2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride?
The IUPAC name of 2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride (CID 178200001) is 2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride.
What is the SMILES notation for 2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride?
The canonical SMILES for 2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride is Cl.OCC(F)(F)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride?
The InChIKey is QQURBMQEQIWCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO.ClH/c6-5(7,3-9)4-1-8-2-4;/h4,8-9H,1-3H2;1H.
What are the key properties of 2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride?
2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride has a molecular weight of 173.59 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-2,2-difluoroethanol;hydrochloride is sourced from PubChem (CID 178200001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).