3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride

C9H7ClF5NO — CID 134524404

IUPAC3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride
SMILESCl.Fc1c(F)c(F)c(OC2CNC2)c(F)c1F
InChIInChI=1S/C9H6F5NO.ClH/c10-4-5(11)7(13)9(8(14)6(4)12)16-3-1-15-2-3;/h3,15H,1-2H2;1H
InChIKeyWGWQWPGQEQSWJW-UHFFFAOYSA-N
MW275.60 g/mol
LogP2.15
Rot. Bonds2

About 3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride

3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride (PubChem CID 134524404) has the molecular formula C9H7ClF5NO and a molecular weight of 275.60 g/mol. Its IUPAC name is 3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride
PubChem CID134524404
Molecular FormulaC9H7ClF5NO
Molecular Weight275.60 g/mol
Exact Mass275.01
IUPAC Name3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride
SMILESCl.Fc1c(F)c(F)c(OC2CNC2)c(F)c1F
InChIInChI=1S/C9H6F5NO.ClH/c10-4-5(11)7(13)9(8(14)6(4)12)16-3-1-15-2-3;/h3,15H,1-2H2;1H
InChIKeyWGWQWPGQEQSWJW-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.60
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-Phenoxyazetidine
CID 12812501
3-(4-Fluorophenoxy)azetidine
CID 21428730
3-(3,4-Difluorophenoxy)azetidine
CID 22309140
3-(2,4-Difluorophenoxy)azetidine
CID 24902389
3-Phenoxyazetidine hydrochloride
CID 18526446
3-(4-Fluorophenoxy)azetidine hydrochloride
CID 21428732
3-(3,4-Difluorophenoxy)-azetidine hydrochloride (1:1)
CID 71299291
3-(3-Fluorophenoxy)azetidine hydrochloride
CID 75531014
3-(2,3-Difluorophenoxy)azetidine
CID 53407685
2-(Pentafluorophenoxy)ethanamine
CID 5305488
(2-(3-Fluorophenoxy)ethyl)(methyl)amine hydrochloride
CID 17170919
2-(pentafluorophenoxy)ethyl-N,N-diethylamine
CID 13640844

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride?
The IUPAC name of 3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride (CID 134524404) is 3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride.
What is the SMILES notation for 3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride?
The canonical SMILES for 3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride is Cl.Fc1c(F)c(F)c(OC2CNC2)c(F)c1F.
What is the InChIKey of 3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride?
The InChIKey is WGWQWPGQEQSWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO.ClH/c10-4-5(11)7(13)9(8(14)6(4)12)16-3-1-15-2-3;/h3,15H,1-2H2;1H.
What are the key properties of 3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride?
3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride has a molecular weight of 275.60 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride is sourced from PubChem (CID 134524404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).