3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine

C13H18FNO — CID 79459708

IUPAC3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine
SMILESCOCCCC1(c2cccc(F)c2)CNC1
InChIInChI=1S/C13H18FNO/c1-16-7-3-6-13(9-15-10-13)11-4-2-5-12(14)8-11/h2,4-5,8,15H,3,6-7,9-10H2,1H3
InChIKeyMAQKPQZUYBTLIY-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.09
Rot. Bonds5

About 3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine

3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine (PubChem CID 79459708) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine
PubChem CID79459708
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine
SMILESCOCCCC1(c2cccc(F)c2)CNC1
InChIInChI=1S/C13H18FNO/c1-16-7-3-6-13(9-15-10-13)11-4-2-5-12(14)8-11/h2,4-5,8,15H,3,6-7,9-10H2,1H3
InChIKeyMAQKPQZUYBTLIY-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine?
The IUPAC name of 3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine (CID 79459708) is 3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine.
What is the SMILES notation for 3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine?
The canonical SMILES for 3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine is COCCCC1(c2cccc(F)c2)CNC1.
What is the InChIKey of 3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine?
The InChIKey is MAQKPQZUYBTLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-7-3-6-13(9-15-10-13)11-4-2-5-12(14)8-11/h2,4-5,8,15H,3,6-7,9-10H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine?
3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine has a molecular weight of 223.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-(3-methoxypropyl)azetidine is sourced from PubChem (CID 79459708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).