(3,3-difluoroazetidin-2-yl)methanol;hydrochloride

C4H8ClF2NO — CID 146012792

IUPAC(3,3-difluoroazetidin-2-yl)methanol;hydrochloride
SMILESCl.OCC1NCC1(F)F
InChIInChI=1S/C4H7F2NO.ClH/c5-4(6)2-7-3(4)1-8;/h3,7-8H,1-2H2;1H
InChIKeyKBWIYAIOXUHCFG-UHFFFAOYSA-N
MW159.56 g/mol
LogP0.01
Rot. Bonds1

About (3,3-difluoroazetidin-2-yl)methanol;hydrochloride

(3,3-difluoroazetidin-2-yl)methanol;hydrochloride (PubChem CID 146012792) has the molecular formula C4H8ClF2NO and a molecular weight of 159.56 g/mol. Its IUPAC name is (3,3-difluoroazetidin-2-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(3,3-difluoroazetidin-2-yl)methanol;hydrochloride
PubChem CID146012792
Molecular FormulaC4H8ClF2NO
Molecular Weight159.56 g/mol
Exact Mass159.03
IUPAC Name(3,3-difluoroazetidin-2-yl)methanol;hydrochloride
SMILESCl.OCC1NCC1(F)F
InChIInChI=1S/C4H7F2NO.ClH/c5-4(6)2-7-3(4)1-8;/h3,7-8H,1-2H2;1H
InChIKeyKBWIYAIOXUHCFG-UHFFFAOYSA-N
XLogP0.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.56
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-2-yl)methanol;hydrochloride?
The IUPAC name of (3,3-difluoroazetidin-2-yl)methanol;hydrochloride (CID 146012792) is (3,3-difluoroazetidin-2-yl)methanol;hydrochloride.
What is the SMILES notation for (3,3-difluoroazetidin-2-yl)methanol;hydrochloride?
The canonical SMILES for (3,3-difluoroazetidin-2-yl)methanol;hydrochloride is Cl.OCC1NCC1(F)F.
What is the InChIKey of (3,3-difluoroazetidin-2-yl)methanol;hydrochloride?
The InChIKey is KBWIYAIOXUHCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO.ClH/c5-4(6)2-7-3(4)1-8;/h3,7-8H,1-2H2;1H.
What are the key properties of (3,3-difluoroazetidin-2-yl)methanol;hydrochloride?
(3,3-difluoroazetidin-2-yl)methanol;hydrochloride has a molecular weight of 159.56 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-2-yl)methanol;hydrochloride is sourced from PubChem (CID 146012792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).