8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C10H15F3N2O2 — CID 126760908

IUPAC8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)OC(=O)NC2CC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-15-4-2-9(3-5-15)7(6-10(11,12)13)14-8(16)17-9/h7H,2-6H2,1H3,(H,14,16)
InChIKeyYGBWAONSSKVWDV-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.51
Rot. Bonds1

About 8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 126760908) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID126760908
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)OC(=O)NC2CC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-15-4-2-9(3-5-15)7(6-10(11,12)13)14-8(16)17-9/h7H,2-6H2,1H3,(H,14,16)
InChIKeyYGBWAONSSKVWDV-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 126760908) is 8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CCC2(CC1)OC(=O)NC2CC(F)(F)F.
What is the InChIKey of 8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is YGBWAONSSKVWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-15-4-2-9(3-5-15)7(6-10(11,12)13)14-8(16)17-9/h7H,2-6H2,1H3,(H,14,16).
What are the key properties of 8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 252.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 126760908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).