2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride

C5H10ClF2NO — CID 167713964

IUPAC2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride
SMILESCl.OCCN1CC(F)(F)C1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)3-8(4-5)1-2-9;/h9H,1-4H2;1H
InChIKeyPVYJGRMVSQPSGX-UHFFFAOYSA-N
MW173.59 g/mol
LogP0.35
Rot. Bonds2

About 2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride

2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride (PubChem CID 167713964) has the molecular formula C5H10ClF2NO and a molecular weight of 173.59 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride
PubChem CID167713964
Molecular FormulaC5H10ClF2NO
Molecular Weight173.59 g/mol
Exact Mass173.04
IUPAC Name2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride
SMILESCl.OCCN1CC(F)(F)C1
InChIInChI=1S/C5H9F2NO.ClH/c6-5(7)3-8(4-5)1-2-9;/h9H,1-4H2;1H
InChIKeyPVYJGRMVSQPSGX-UHFFFAOYSA-N
XLogP0.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.59
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Azetidin-1-yl)ethan-1-ol
CID 54569113
2-(3-Fluoroazetidin-1-yl)ethan-1-ol
CID 125499608
1-(2,2-Difluoroethyl)azetidin-3-ol
CID 63282692
2-[3-(Difluoromethoxy)azetidin-1-yl]ethan-1-ol
CID 131227819
2-[Propyl(2,2,2-trifluoroethyl)amino]ethanol
CID 60774691
1-(2,2,2-Trifluoroethyl)azetidin-3-ol
CID 63282292
1-(3,3,3-Trifluoropropyl)azetidin-3-ol
CID 64568003
(2R)-3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 66649641
3-(Azetidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 66649642
1-(Trifluoromethyl)azetidin-3-ol
CID 67353115
1-(2-Fluoroethyl)azetidin-3-ol
CID 80698157
1-(3-Fluoropropyl)azetidin-3-ol
CID 81113802

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride (CID 167713964) is 2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride is Cl.OCCN1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride?
The InChIKey is PVYJGRMVSQPSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO.ClH/c6-5(7)3-8(4-5)1-2-9;/h9H,1-4H2;1H.
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride?
2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride has a molecular weight of 173.59 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)ethanol;hydrochloride is sourced from PubChem (CID 167713964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).