8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane

C13H23F3N2O — CID 64845925

IUPAC8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCC1CN(CCOCC(F)(F)F)C2(CCCC2)CN1
InChIInChI=1S/C13H23F3N2O/c1-11-8-18(6-7-19-10-13(14,15)16)12(9-17-11)4-2-3-5-12/h11,17H,2-10H2,1H3
InChIKeyACAPWRDEXJBCOO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.17
Rot. Bonds4

About 8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane

8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64845925) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
PubChem CID64845925
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCC1CN(CCOCC(F)(F)F)C2(CCCC2)CN1
InChIInChI=1S/C13H23F3N2O/c1-11-8-18(6-7-19-10-13(14,15)16)12(9-17-11)4-2-3-5-12/h11,17H,2-10H2,1H3
InChIKeyACAPWRDEXJBCOO-UHFFFAOYSA-N
XLogP2.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
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 8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane (CID 64845925) is 8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane is CC1CN(CCOCC(F)(F)F)C2(CCCC2)CN1.
What is the InChIKey of 8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is ACAPWRDEXJBCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-11-8-18(6-7-19-10-13(14,15)16)12(9-17-11)4-2-3-5-12/h11,17H,2-10H2,1H3.
What are the key properties of 8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 280.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64845925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).