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

C14H25F3N2O — CID 64876429

IUPAC8,8-dimethyl-9-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCC1(C)CNC2(CCCC2)CN1CCOCC(F)(F)F
InChIInChI=1S/C14H25F3N2O/c1-12(2)9-18-13(5-3-4-6-13)10-19(12)7-8-20-11-14(15,16)17/h18H,3-11H2,1-2H3
InChIKeyPWILFPPMQXJRFN-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.56
Rot. Bonds4

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

8,8-dimethyl-9-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64876429) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 8,8-dimethyl-9-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-dimethyl-9-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
PubChem CID64876429
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name8,8-dimethyl-9-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCC1(C)CNC2(CCCC2)CN1CCOCC(F)(F)F
InChIInChI=1S/C14H25F3N2O/c1-12(2)9-18-13(5-3-4-6-13)10-19(12)7-8-20-11-14(15,16)17/h18H,3-11H2,1-2H3
InChIKeyPWILFPPMQXJRFN-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.56
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 8,8-dimethyl-9-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8,8-dimethyl-9-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane (CID 64876429) is 8,8-dimethyl-9-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8,8-dimethyl-9-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8,8-dimethyl-9-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane is CC1(C)CNC2(CCCC2)CN1CCOCC(F)(F)F.
What is the InChIKey of 8,8-dimethyl-9-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is PWILFPPMQXJRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-12(2)9-18-13(5-3-4-6-13)10-19(12)7-8-20-11-14(15,16)17/h18H,3-11H2,1-2H3.
What are the key properties of 8,8-dimethyl-9-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane?
8,8-dimethyl-9-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 294.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-9-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64876429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).