3-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane

C13H22F3NO3 — CID 102930075

IUPAC3-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)COCCCOC1COC2(CCNCC2)C1
InChIInChI=1S/C13H22F3NO3/c14-13(15,16)10-18-6-1-7-19-11-8-12(20-9-11)2-4-17-5-3-12/h11,17H,1-10H2
InChIKeyYFTNHWGGVMWLJB-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.88
Rot. Bonds6

About 3-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane

3-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930075) has the molecular formula C13H22F3NO3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930075
Molecular FormulaC13H22F3NO3
Molecular Weight297.32 g/mol
Exact Mass297.16
IUPAC Name3-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)COCCCOC1COC2(CCNCC2)C1
InChIInChI=1S/C13H22F3NO3/c14-13(15,16)10-18-6-1-7-19-11-8-12(20-9-11)2-4-17-5-3-12/h11,17H,1-10H2
InChIKeyYFTNHWGGVMWLJB-UHFFFAOYSA-N
XLogP1.88
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane (CID 102930075) is 3-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane is FC(F)(F)COCCCOC1COC2(CCNCC2)C1.
What is the InChIKey of 3-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is YFTNHWGGVMWLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO3/c14-13(15,16)10-18-6-1-7-19-11-8-12(20-9-11)2-4-17-5-3-12/h11,17H,1-10H2.
What are the key properties of 3-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane?
3-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 297.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2,2-trifluoroethoxy)propoxy]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).