2-(trifluoromethyl)-6-azaspiro[2.5]octane

C8H12F3N — CID 105437897

IUPAC2-(trifluoromethyl)-6-azaspiro[2.5]octane
SMILESFC(F)(F)C1CC12CCNCC2
InChIInChI=1S/C8H12F3N/c9-8(10,11)6-5-7(6)1-3-12-4-2-7/h6,12H,1-5H2
InChIKeyKEZYHOOXSNMTIG-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.94
Rot. Bonds

About 2-(trifluoromethyl)-6-azaspiro[2.5]octane

2-(trifluoromethyl)-6-azaspiro[2.5]octane (PubChem CID 105437897) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name2-(trifluoromethyl)-6-azaspiro[2.5]octane
PubChem CID105437897
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name2-(trifluoromethyl)-6-azaspiro[2.5]octane
SMILESFC(F)(F)C1CC12CCNCC2
InChIInChI=1S/C8H12F3N/c9-8(10,11)6-5-7(6)1-3-12-4-2-7/h6,12H,1-5H2
InChIKeyKEZYHOOXSNMTIG-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,4S)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine
CID 155904281
(2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride
CID 172898053
(5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 97473932
1-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanone
CID 159609611
(5R)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide;hydrochloride
CID 155863000
2-(2-fluoropropan-2-yl)-5-azaspiro[2.5]octane
CID 115013917
(2S)-2-[4-(trifluoromethyl)phenyl]-5-azaspiro[2.4]heptane
CID 139543309
4-tert-butyl-4-(trifluoromethyl)piperidine
CID 122629323
2-ethynyl-6-azaspiro[2.5]octane
CID 121207548
5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane
CID 79311438
(4R)-3,3-difluoro-8-azaspiro[4.5]decan-4-amine
CID 167210135
6-azaspiro[2.5]octane-2-carboxylic acid
CID 51342230

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6-azaspiro[2.5]octane?
The IUPAC name of 2-(trifluoromethyl)-6-azaspiro[2.5]octane (CID 105437897) is 2-(trifluoromethyl)-6-azaspiro[2.5]octane.
What is the SMILES notation for 2-(trifluoromethyl)-6-azaspiro[2.5]octane?
The canonical SMILES for 2-(trifluoromethyl)-6-azaspiro[2.5]octane is FC(F)(F)C1CC12CCNCC2.
What is the InChIKey of 2-(trifluoromethyl)-6-azaspiro[2.5]octane?
The InChIKey is KEZYHOOXSNMTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)6-5-7(6)1-3-12-4-2-7/h6,12H,1-5H2.
What are the key properties of 2-(trifluoromethyl)-6-azaspiro[2.5]octane?
2-(trifluoromethyl)-6-azaspiro[2.5]octane has a molecular weight of 179.18 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6-azaspiro[2.5]octane is sourced from PubChem (CID 105437897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).