1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

C8H11F3N2O2 — CID 83891547

IUPAC1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1OCC2(CCNC2)N1CC(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)4-13-6(14)15-5-7(13)1-2-12-3-7/h12H,1-5H2
InChIKeyIOYPHAWBRTYSMM-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.73
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (PubChem CID 83891547) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
PubChem CID83891547
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1OCC2(CCNC2)N1CC(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)4-13-6(14)15-5-7(13)1-2-12-3-7/h12H,1-5H2
InChIKeyIOYPHAWBRTYSMM-UHFFFAOYSA-N
XLogP0.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-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

Related Compounds

3-Oxa-1,7-diazaspiro[4.4]nonan-2-one hydrochloride
CID 146675782
7-Methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 65585123
7-Propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 65586388
7-Cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 65586397
3-Oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 71669039
1-Methyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 83872852
1-Ethyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 83874007
1-Cyclopropyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 83876086
1-Propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 83876405
1-Cyclobutyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 83879909
1-(2-Methylpropyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 83880328
1-Tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 83880329

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (CID 83891547) is 1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is O=C1OCC2(CCNC2)N1CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is IOYPHAWBRTYSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c9-8(10,11)4-13-6(14)15-5-7(13)1-2-12-3-7/h12H,1-5H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 224.18 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 83891547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).