2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane

C13H24FNO — CID 122140145

IUPAC2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane
SMILESFCCCCCN1CCC2(CCCOC2)C1
InChIInChI=1S/C13H24FNO/c14-7-2-1-3-8-15-9-6-13(11-15)5-4-10-16-12-13/h1-12H2
InChIKeyVZVGWWFIKPVXKU-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.63
Rot. Bonds5

About 2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane

2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane (PubChem CID 122140145) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane
PubChem CID122140145
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane
SMILESFCCCCCN1CCC2(CCCOC2)C1
InChIInChI=1S/C13H24FNO/c14-7-2-1-3-8-15-9-6-13(11-15)5-4-10-16-12-13/h1-12H2
InChIKeyVZVGWWFIKPVXKU-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.63
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 2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane (CID 122140145) is 2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane is FCCCCCN1CCC2(CCCOC2)C1.
What is the InChIKey of 2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane?
The InChIKey is VZVGWWFIKPVXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c14-7-2-1-3-8-15-9-6-13(11-15)5-4-10-16-12-13/h1-12H2.
What are the key properties of 2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane?
2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane has a molecular weight of 229.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropentyl)-7-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 122140145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).