3-[(4-fluorophenyl)methyl]azetidine;hydrochloride

C10H13ClFN — CID 56828094

IUPAC3-[(4-fluorophenyl)methyl]azetidine;hydrochloride
SMILESCl.Fc1ccc(CC2CNC2)cc1
InChIInChI=1S/C10H12FN.ClH/c11-10-3-1-8(2-4-10)5-9-6-12-7-9;/h1-4,9,12H,5-7H2;1H
InChIKeyZXNYCKYOAAOKPJ-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.01
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]azetidine;hydrochloride

3-[(4-fluorophenyl)methyl]azetidine;hydrochloride (PubChem CID 56828094) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]azetidine;hydrochloride
PubChem CID56828094
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name3-[(4-fluorophenyl)methyl]azetidine;hydrochloride
SMILESCl.Fc1ccc(CC2CNC2)cc1
InChIInChI=1S/C10H12FN.ClH/c11-10-3-1-8(2-4-10)5-9-6-12-7-9;/h1-4,9,12H,5-7H2;1H
InChIKeyZXNYCKYOAAOKPJ-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]azetidine;hydrochloride?
The IUPAC name of 3-[(4-fluorophenyl)methyl]azetidine;hydrochloride (CID 56828094) is 3-[(4-fluorophenyl)methyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]azetidine;hydrochloride?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]azetidine;hydrochloride is Cl.Fc1ccc(CC2CNC2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]azetidine;hydrochloride?
The InChIKey is ZXNYCKYOAAOKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN.ClH/c11-10-3-1-8(2-4-10)5-9-6-12-7-9;/h1-4,9,12H,5-7H2;1H.
What are the key properties of 3-[(4-fluorophenyl)methyl]azetidine;hydrochloride?
3-[(4-fluorophenyl)methyl]azetidine;hydrochloride has a molecular weight of 201.67 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]azetidine;hydrochloride is sourced from PubChem (CID 56828094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).