9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane

C13H21F4NO2 — CID 100673737

IUPAC9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane
SMILESFC(F)C(F)(F)COCCN1CCOC2(CCCC2)C1
InChIInChI=1S/C13H21F4NO2/c14-11(15)13(16,17)10-19-7-5-18-6-8-20-12(9-18)3-1-2-4-12/h11H,1-10H2
InChIKeyKSWFZTMWTSQSRD-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.55
Rot. Bonds6

About 9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane

9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane (PubChem CID 100673737) has the molecular formula C13H21F4NO2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane
PubChem CID100673737
Molecular FormulaC13H21F4NO2
Molecular Weight299.31 g/mol
Exact Mass299.15
IUPAC Name9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane
SMILESFC(F)C(F)(F)COCCN1CCOC2(CCCC2)C1
InChIInChI=1S/C13H21F4NO2/c14-11(15)13(16,17)10-19-7-5-18-6-8-20-12(9-18)3-1-2-4-12/h11H,1-10H2
InChIKeyKSWFZTMWTSQSRD-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane (CID 100673737) is 9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane is FC(F)C(F)(F)COCCN1CCOC2(CCCC2)C1.
What is the InChIKey of 9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is KSWFZTMWTSQSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F4NO2/c14-11(15)13(16,17)10-19-7-5-18-6-8-20-12(9-18)3-1-2-4-12/h11H,1-10H2.
What are the key properties of 9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane?
9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 299.31 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 100673737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).