3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine

C15H20FNO — CID 79459740

IUPAC3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine
SMILESFc1ccccc1C1(CC2CCOCC2)CNC1
InChIInChI=1S/C15H20FNO/c16-14-4-2-1-3-13(14)15(10-17-11-15)9-12-5-7-18-8-6-12/h1-4,12,17H,5-11H2
InChIKeyKFGWASGRUJOWNU-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.48
Rot. Bonds3

About 3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine

3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine (PubChem CID 79459740) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine
PubChem CID79459740
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine
SMILESFc1ccccc1C1(CC2CCOCC2)CNC1
InChIInChI=1S/C15H20FNO/c16-14-4-2-1-3-13(14)15(10-17-11-15)9-12-5-7-18-8-6-12/h1-4,12,17H,5-11H2
InChIKeyKFGWASGRUJOWNU-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine?
The IUPAC name of 3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine (CID 79459740) is 3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine?
The canonical SMILES for 3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine is Fc1ccccc1C1(CC2CCOCC2)CNC1.
What is the InChIKey of 3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine?
The InChIKey is KFGWASGRUJOWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-14-4-2-1-3-13(14)15(10-17-11-15)9-12-5-7-18-8-6-12/h1-4,12,17H,5-11H2.
What are the key properties of 3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine?
3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine has a molecular weight of 249.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(oxan-4-ylmethyl)azetidine is sourced from PubChem (CID 79459740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).