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

C15H27F3N2O — CID 64838686

IUPAC8-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CN(CCOCC(F)(F)F)C2(CCCC2)CN1
InChIInChI=1S/C15H27F3N2O/c1-12(2)13-9-20(7-8-21-11-15(16,17)18)14(10-19-13)5-3-4-6-14/h12-13,19H,3-11H2,1-2H3
InChIKeyGRYYCMPJURNZBQ-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.81
Rot. Bonds5

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

8-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64838686) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 8-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
PubChem CID64838686
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name8-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CN(CCOCC(F)(F)F)C2(CCCC2)CN1
InChIInChI=1S/C15H27F3N2O/c1-12(2)13-9-20(7-8-21-11-15(16,17)18)14(10-19-13)5-3-4-6-14/h12-13,19H,3-11H2,1-2H3
InChIKeyGRYYCMPJURNZBQ-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.81
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-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane (CID 64838686) is 8-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane is CC(C)C1CN(CCOCC(F)(F)F)C2(CCCC2)CN1.
What is the InChIKey of 8-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is GRYYCMPJURNZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-12(2)13-9-20(7-8-21-11-15(16,17)18)14(10-19-13)5-3-4-6-14/h12-13,19H,3-11H2,1-2H3.
What are the key properties of 8-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
8-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 308.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64838686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).