2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane

C8H12F3N — CID 177232347

IUPAC2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane
SMILESCN1CC2(CCC2C(F)(F)F)C1
InChIInChI=1S/C8H12F3N/c1-12-4-7(5-12)3-2-6(7)8(9,10)11/h6H,2-5H2,1H3
InChIKeyILNZSPROVPRTCI-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.89
Rot. Bonds

About 2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane

2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane (PubChem CID 177232347) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane
PubChem CID177232347
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane
SMILESCN1CC2(CCC2C(F)(F)F)C1
InChIInChI=1S/C8H12F3N/c1-12-4-7(5-12)3-2-6(7)8(9,10)11/h6H,2-5H2,1H3
InChIKeyILNZSPROVPRTCI-UHFFFAOYSA-N
XLogP1.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane
CID 171594457
(5S)-2,5-dimethyl-2-azaspiro[3.4]octane;ethane
CID 169125292
3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane
CID 177005779
(5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 97473932
3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane
CID 177005565
(5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride
CID 155863000
3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane
CID 177006225
3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane
CID 177006329
(5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane
CID 167037825
3-[[3-(difluoromethyl)azetidin-1-yl]methyl]-6-methyl-6-azaspiro[3.4]octane
CID 177005369
3-fluoro-1,3-dimethylazetidine
CID 89296536
7-ethyl-5-fluoro-2-methyl-2,7-diazaspiro[3.5]nonane
CID 175631795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane?
The IUPAC name of 2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane (CID 177232347) is 2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane is CN1CC2(CCC2C(F)(F)F)C1.
What is the InChIKey of 2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane?
The InChIKey is ILNZSPROVPRTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-12-4-7(5-12)3-2-6(7)8(9,10)11/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane?
2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane has a molecular weight of 179.18 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 177232347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).