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

C10H13ClFNO — CID 75485348

IUPAC3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride
SMILESCl.Fc1ccc(COC2CNC2)cc1
InChIInChI=1S/C10H12FNO.ClH/c11-9-3-1-8(2-4-9)7-13-10-5-12-6-10;/h1-4,10,12H,5-7H2;1H
InChIKeyQDIFUADFEQJJPK-UHFFFAOYSA-N
MW217.67 g/mol
LogP1.74
Rot. Bonds3

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

3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride (PubChem CID 75485348) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride
PubChem CID75485348
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride
SMILESCl.Fc1ccc(COC2CNC2)cc1
InChIInChI=1S/C10H12FNO.ClH/c11-9-3-1-8(2-4-9)7-13-10-5-12-6-10;/h1-4,10,12H,5-7H2;1H
InChIKeyQDIFUADFEQJJPK-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride (CID 75485348) is 3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride is Cl.Fc1ccc(COC2CNC2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride?
The InChIKey is QDIFUADFEQJJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO.ClH/c11-9-3-1-8(2-4-9)7-13-10-5-12-6-10;/h1-4,10,12H,5-7H2;1H.
What are the key properties of 3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride?
3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride has a molecular weight of 217.67 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride is sourced from PubChem (CID 75485348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).