3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride

C5H10ClF2NO2 — CID 155822832

IUPAC3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride
SMILESCl.OCC(F)(F)C1(O)CNC1
InChIInChI=1S/C5H9F2NO2.ClH/c6-5(7,3-9)4(10)1-8-2-4;/h8-10H,1-3H2;1H
InChIKeyTZSOCXWNDHPOOS-UHFFFAOYSA-N
MW189.59 g/mol
LogP-0.63
Rot. Bonds2

About 3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride

3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride (PubChem CID 155822832) has the molecular formula C5H10ClF2NO2 and a molecular weight of 189.59 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride
PubChem CID155822832
Molecular FormulaC5H10ClF2NO2
Molecular Weight189.59 g/mol
Exact Mass189.04
IUPAC Name3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride
SMILESCl.OCC(F)(F)C1(O)CNC1
InChIInChI=1S/C5H9F2NO2.ClH/c6-5(7,3-9)4(10)1-8-2-4;/h8-10H,1-3H2;1H
InChIKeyTZSOCXWNDHPOOS-UHFFFAOYSA-N
XLogP-0.63
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.59
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride?
The IUPAC name of 3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride (CID 155822832) is 3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride?
The canonical SMILES for 3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride is Cl.OCC(F)(F)C1(O)CNC1.
What is the InChIKey of 3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride?
The InChIKey is TZSOCXWNDHPOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2.ClH/c6-5(7,3-9)4(10)1-8-2-4;/h8-10H,1-3H2;1H.
What are the key properties of 3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride?
3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride has a molecular weight of 189.59 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-hydroxyethyl)azetidin-3-ol;hydrochloride is sourced from PubChem (CID 155822832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).