3-[(2-fluorophenyl)methyl]azetidine;hydrochloride

C10H13ClFN — CID 56811171

IUPAC3-[(2-fluorophenyl)methyl]azetidine;hydrochloride
SMILESCl.Fc1ccccc1CC1CNC1
InChIInChI=1S/C10H12FN.ClH/c11-10-4-2-1-3-9(10)5-8-6-12-7-8;/h1-4,8,12H,5-7H2;1H
InChIKeyWQRRQWLNQDEZPO-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.01
Rot. Bonds2

About 3-[(2-fluorophenyl)methyl]azetidine;hydrochloride

3-[(2-fluorophenyl)methyl]azetidine;hydrochloride (PubChem CID 56811171) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]azetidine;hydrochloride
PubChem CID56811171
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name3-[(2-fluorophenyl)methyl]azetidine;hydrochloride
SMILESCl.Fc1ccccc1CC1CNC1
InChIInChI=1S/C10H12FN.ClH/c11-10-4-2-1-3-9(10)5-8-6-12-7-8;/h1-4,8,12H,5-7H2;1H
InChIKeyWQRRQWLNQDEZPO-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-[(2-fluorophenyl)methyl]azetidine;hydrochloride?
The IUPAC name of 3-[(2-fluorophenyl)methyl]azetidine;hydrochloride (CID 56811171) is 3-[(2-fluorophenyl)methyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]azetidine;hydrochloride?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]azetidine;hydrochloride is Cl.Fc1ccccc1CC1CNC1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]azetidine;hydrochloride?
The InChIKey is WQRRQWLNQDEZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN.ClH/c11-10-4-2-1-3-9(10)5-8-6-12-7-8;/h1-4,8,12H,5-7H2;1H.
What are the key properties of 3-[(2-fluorophenyl)methyl]azetidine;hydrochloride?
3-[(2-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-[(2-fluorophenyl)methyl]azetidine;hydrochloride is sourced from PubChem (CID 56811171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).