3-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine

C13H26FNO — CID 155452212

IUPAC3-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine
SMILESCCCCCC(C)(C)N1CC(OCCF)C1
InChIInChI=1S/C13H26FNO/c1-4-5-6-7-13(2,3)15-10-12(11-15)16-9-8-14/h12H,4-11H2,1-3H3
InChIKeyLWVXFJSQFTVVIE-UHFFFAOYSA-N
MW231.35 g/mol
LogP3.02
Rot. Bonds8

About 3-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine

3-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine (PubChem CID 155452212) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine.

Molecular Properties

Compound Name3-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine
PubChem CID155452212
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name3-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine
SMILESCCCCCC(C)(C)N1CC(OCCF)C1
InChIInChI=1S/C13H26FNO/c1-4-5-6-7-13(2,3)15-10-12(11-15)16-9-8-14/h12H,4-11H2,1-3H3
InChIKeyLWVXFJSQFTVVIE-UHFFFAOYSA-N
XLogP3.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
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-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine?
The IUPAC name of 3-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine (CID 155452212) is 3-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine.
What is the SMILES notation for 3-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine?
The canonical SMILES for 3-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine is CCCCCC(C)(C)N1CC(OCCF)C1.
What is the InChIKey of 3-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine?
The InChIKey is LWVXFJSQFTVVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-4-5-6-7-13(2,3)15-10-12(11-15)16-9-8-14/h12H,4-11H2,1-3H3.
What are the key properties of 3-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine?
3-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine has a molecular weight of 231.35 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)-1-(2-methylheptan-2-yl)azetidine is sourced from PubChem (CID 155452212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).