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

C5H11ClFNO — CID 167740392

IUPAC[3-(fluoromethyl)azetidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1(CF)CNC1
InChIInChI=1S/C5H10FNO.ClH/c6-1-5(4-8)2-7-3-5;/h7-8H,1-4H2;1H
InChIKeyAWUUHDIZKVMLNA-UHFFFAOYSA-N
MW155.60 g/mol
LogP-0.04
Rot. Bonds2

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

[3-(fluoromethyl)azetidin-3-yl]methanol;hydrochloride (PubChem CID 167740392) has the molecular formula C5H11ClFNO and a molecular weight of 155.60 g/mol. Its IUPAC name is [3-(fluoromethyl)azetidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-(fluoromethyl)azetidin-3-yl]methanol;hydrochloride
PubChem CID167740392
Molecular FormulaC5H11ClFNO
Molecular Weight155.60 g/mol
Exact Mass155.05
IUPAC Name[3-(fluoromethyl)azetidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1(CF)CNC1
InChIInChI=1S/C5H10FNO.ClH/c6-1-5(4-8)2-7-3-5;/h7-8H,1-4H2;1H
InChIKeyAWUUHDIZKVMLNA-UHFFFAOYSA-N
XLogP-0.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.60
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Azetidin-3-yl)methanol
CID 13400658
(3-(Hydroxymethyl)azetidin-3-yl)methanol hydrochloride
CID 24801399
(Azetidin-3-yl)methanol hydrochloride
CID 24801400
(3-Fluoroazetidin-3-yl)methanol
CID 53302277
(3-Methylazetidin-3-yl)methanol hydrochloride
CID 89808882
(3-(Difluoromethyl)azetidin-3-yl)methanol hydrochloride
CID 162342605
3,3-Di(hydroxymethyl)azetidine
CID 21463402
(3-Methyl-3-azetidinyl)methanol
CID 89808883
[3-(Fluoromethyl)azetidin-3-yl]methanol
CID 135395937
(3-(Difluoromethyl)azetidin-3-yl)methanol
CID 135395278
[3-(Aminomethyl)azetidin-3-yl]methanol
CID 55281772
(3-Fluoroazetidin-3-yl)methanol hydrochloride
CID 73424769

Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethyl)azetidin-3-yl]methanol;hydrochloride?
The IUPAC name of [3-(fluoromethyl)azetidin-3-yl]methanol;hydrochloride (CID 167740392) is [3-(fluoromethyl)azetidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [3-(fluoromethyl)azetidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [3-(fluoromethyl)azetidin-3-yl]methanol;hydrochloride is Cl.OCC1(CF)CNC1.
What is the InChIKey of [3-(fluoromethyl)azetidin-3-yl]methanol;hydrochloride?
The InChIKey is AWUUHDIZKVMLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO.ClH/c6-1-5(4-8)2-7-3-5;/h7-8H,1-4H2;1H.
What are the key properties of [3-(fluoromethyl)azetidin-3-yl]methanol;hydrochloride?
[3-(fluoromethyl)azetidin-3-yl]methanol;hydrochloride has a molecular weight of 155.60 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethyl)azetidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 167740392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).