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

C10H17F3N2 — CID 118974100

IUPAC2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane
SMILESCN1CC2(CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C10H17F3N2/c1-14-6-9(7-14)2-4-15(5-3-9)8-10(11,12)13/h2-8H2,1H3
InChIKeyJBLLYCNPLYTTHO-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.58
Rot. Bonds1

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

2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane (PubChem CID 118974100) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane
PubChem CID118974100
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane
SMILESCN1CC2(CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C10H17F3N2/c1-14-6-9(7-14)2-4-15(5-3-9)8-10(11,12)13/h2-8H2,1H3
InChIKeyJBLLYCNPLYTTHO-UHFFFAOYSA-N
XLogP1.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane 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

1-(3,3-Dimethylbutyl)-4,4-difluoropiperidine
CID 58044363
4-Tert-butyl-4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58394525
1-(2,2-Dimethylpropyl)-4-(trifluoromethyl)piperidine
CID 58877740
4-Ethyl-4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 68260651
4,4-Dimethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 68260750
4,4-Dimethyl-1-(3,3,3-trifluoropropyl)piperidine
CID 69928970
3,3-Dimethyl-1-(2,2,2-trifluoroethyl)piperidine
CID 91555414
1-(3,3-Dimethylbutyl)-3,3-difluoropiperidine
CID 117693841
1-(4,4-Dimethylpentyl)-4,4-difluoropiperidine
CID 117715206
1-Tert-butyl-4-methyl-4-(trifluoromethyl)piperidine
CID 118031425
1-(3,3-Dimethylbutyl)-4-fluoro-4-methylpiperidine
CID 118552767
6-(2,2-Difluoroethyl)-2-methyl-2,6-diazaspiro[3.5]nonane
CID 118974416

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane (CID 118974100) is 2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane is CN1CC2(CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of 2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is JBLLYCNPLYTTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-14-6-9(7-14)2-4-15(5-3-9)8-10(11,12)13/h2-8H2,1H3.
What are the key properties of 2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane?
2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 222.25 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 118974100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).