2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

C10H15F3N2O2 — CID 154996281

IUPAC2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN(CC(F)(F)F)C2
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)7-14-5-9(6-14)1-3-15(4-2-9)8(16)17/h1-7H2,(H,16,17)
InChIKeyFVZHRRRHUFSSTF-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.62
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 154996281) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
PubChem CID154996281
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN(CC(F)(F)F)C2
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)7-14-5-9(6-14)1-3-15(4-2-9)8(16)17/h1-7H2,(H,16,17)
InChIKeyFVZHRRRHUFSSTF-UHFFFAOYSA-N
XLogP1.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid 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 2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (CID 154996281) is 2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is O=C(O)N1CCC2(CC1)CN(CC(F)(F)F)C2.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is FVZHRRRHUFSSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)7-14-5-9(6-14)1-3-15(4-2-9)8(16)17/h1-7H2,(H,16,17).
What are the key properties of 2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 252.24 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 154996281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).