[3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride

C5H10ClF2NO — CID 162342605

IUPAC[3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1(C(F)F)CNC1
InChIInChI=1S/C5H9F2NO.ClH/c6-4(7)5(3-9)1-8-2-5;/h4,8-9H,1-3H2;1H
InChIKeyBFBBTQZMYWCNKA-UHFFFAOYSA-N
MW173.59 g/mol
LogP0.26
Rot. Bonds2

About [3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride

[3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride (PubChem CID 162342605) has the molecular formula C5H10ClF2NO and a molecular weight of 173.59 g/mol. Its IUPAC name is [3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride
PubChem CID162342605
Molecular FormulaC5H10ClF2NO
Molecular Weight173.59 g/mol
Exact Mass173.04
IUPAC Name[3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1(C(F)F)CNC1
InChIInChI=1S/C5H9F2NO.ClH/c6-4(7)5(3-9)1-8-2-5;/h4,8-9H,1-3H2;1H
InChIKeyBFBBTQZMYWCNKA-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

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride?
The IUPAC name of [3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride (CID 162342605) is [3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride is Cl.OCC1(C(F)F)CNC1.
What is the InChIKey of [3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride?
The InChIKey is BFBBTQZMYWCNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO.ClH/c6-4(7)5(3-9)1-8-2-5;/h4,8-9H,1-3H2;1H.
What are the key properties of [3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride?
[3-(difluoromethyl)azetidin-3-yl]methanol;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 [3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 162342605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).