4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane

C13H24FNO2 — CID 100644193

IUPAC4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESFCCCCCN1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H24FNO2/c14-6-2-1-3-7-15-8-11-17-13(12-15)4-9-16-10-5-13/h1-12H2
InChIKeyGIDKGBZVKDPDNF-UHFFFAOYSA-N
MW245.34 g/mol
LogP2.01
Rot. Bonds5

About 4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane

4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane (PubChem CID 100644193) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is 4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane
PubChem CID100644193
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC Name4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESFCCCCCN1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H24FNO2/c14-6-2-1-3-7-15-8-11-17-13(12-15)4-9-16-10-5-13/h1-12H2
InChIKeyGIDKGBZVKDPDNF-UHFFFAOYSA-N
XLogP2.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane?
The IUPAC name of 4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane (CID 100644193) is 4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane is FCCCCCN1CCOC2(CCOCC2)C1.
What is the InChIKey of 4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane?
The InChIKey is GIDKGBZVKDPDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO2/c14-6-2-1-3-7-15-8-11-17-13(12-15)4-9-16-10-5-13/h1-12H2.
What are the key properties of 4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane?
4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane has a molecular weight of 245.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropentyl)-1,9-dioxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 100644193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).