2-(4-fluorophenyl)azetidine;hydrochloride

C9H11ClFN — CID 155891542

IUPAC2-(4-fluorophenyl)azetidine;hydrochloride
SMILESCl.Fc1ccc(C2CCN2)cc1
InChIInChI=1S/C9H10FN.ClH/c10-8-3-1-7(2-4-8)9-5-6-11-9;/h1-4,9,11H,5-6H2;1H
InChIKeyZSYLILXYSPZTFI-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.28
Rot. Bonds1

About 2-(4-fluorophenyl)azetidine;hydrochloride

2-(4-fluorophenyl)azetidine;hydrochloride (PubChem CID 155891542) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 2-(4-fluorophenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)azetidine;hydrochloride
PubChem CID155891542
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name2-(4-fluorophenyl)azetidine;hydrochloride
SMILESCl.Fc1ccc(C2CCN2)cc1
InChIInChI=1S/C9H10FN.ClH/c10-8-3-1-7(2-4-8)9-5-6-11-9;/h1-4,9,11H,5-6H2;1H
InChIKeyZSYLILXYSPZTFI-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(4-bromophenyl)azetidine
CID 91980119
(2R)-2-(4-methylsulfanylphenyl)azetidine
CID 130863298
(2R,4S)-2-(4-fluorophenyl)piperidin-4-ol
CID 67506323
5-(4-fluorophenyl)-1,4-diazocane
CID 58295234
(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197362
(2R)-2-(3-fluoro-4-methylphenyl)azetidine
CID 130737796
6-(4-fluorophenyl)-5-azaspiro[2.5]octane
CID 164750776
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
(2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride
CID 171197171
(2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine
CID 82409458
(2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171196840

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)azetidine;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)azetidine;hydrochloride (CID 155891542) is 2-(4-fluorophenyl)azetidine;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)azetidine;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)azetidine;hydrochloride is Cl.Fc1ccc(C2CCN2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)azetidine;hydrochloride?
The InChIKey is ZSYLILXYSPZTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN.ClH/c10-8-3-1-7(2-4-8)9-5-6-11-9;/h1-4,9,11H,5-6H2;1H.
What are the key properties of 2-(4-fluorophenyl)azetidine;hydrochloride?
2-(4-fluorophenyl)azetidine;hydrochloride has a molecular weight of 187.65 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)azetidine;hydrochloride is sourced from PubChem (CID 155891542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).