2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one

C9H13F3N2O2 — CID 118974319

IUPAC2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one
SMILESCN1CC2(CCN(CC(F)(F)F)C(=O)O2)C1
InChIInChI=1S/C9H13F3N2O2/c1-13-4-8(5-13)2-3-14(7(15)16-8)6-9(10,11)12/h2-6H2,1H3
InChIKeyFALHZJOLZYSYNY-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.08
Rot. Bonds1

About 2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one

2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one (PubChem CID 118974319) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one.

Molecular Properties

Compound Name2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one
PubChem CID118974319
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one
SMILESCN1CC2(CCN(CC(F)(F)F)C(=O)O2)C1
InChIInChI=1S/C9H13F3N2O2/c1-13-4-8(5-13)2-3-14(7(15)16-8)6-9(10,11)12/h2-6H2,1H3
InChIKeyFALHZJOLZYSYNY-UHFFFAOYSA-N
XLogP1.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one with MolForge

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Related Compounds

2-(2-Methylbutan-2-yl)-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one
CID 132046739
2-Tert-butyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one
CID 132046740
Ethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one
CID 145047421
Ethane;2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one
CID 145047537
2-Tert-butyl-7-methyl-5-oxa-2,7-diazaspiro[3.5]nonan-6-one
CID 132040665
2-Tert-butyl-7-ethyl-5-oxa-2,7-diazaspiro[3.5]nonan-6-one
CID 132040736
CID 178745919
CID 178745919

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one?
The IUPAC name of 2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one (CID 118974319) is 2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one.
What is the SMILES notation for 2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one?
The canonical SMILES for 2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one is CN1CC2(CCN(CC(F)(F)F)C(=O)O2)C1.
What is the InChIKey of 2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one?
The InChIKey is FALHZJOLZYSYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-13-4-8(5-13)2-3-14(7(15)16-8)6-9(10,11)12/h2-6H2,1H3.
What are the key properties of 2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one?
2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one has a molecular weight of 238.21 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2,2,2-trifluoroethyl)-5-oxa-2,7-diazaspiro[3.5]nonan-6-one is sourced from PubChem (CID 118974319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).