2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol

C8H12F3NO — CID 178199973

IUPAC2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol
SMILESOC1(C(F)(F)F)CC2(CCNC2)C1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13)3-6(4-7)1-2-12-5-6/h12-13H,1-5H2
InChIKeyKIJFUVZTWHMZOV-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.05
Rot. Bonds

About 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol

2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol (PubChem CID 178199973) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol.

Molecular Properties

Compound Name2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol
PubChem CID178199973
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol
SMILESOC1(C(F)(F)F)CC2(CCNC2)C1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13)3-6(4-7)1-2-12-5-6/h12-13H,1-5H2
InChIKeyKIJFUVZTWHMZOV-UHFFFAOYSA-N
XLogP1.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Trifluoromethyl)-7-azaspiro(3.5)nonan-2-ol hydrochloride
CID 134819046
2-(Trifluoromethyl)-6-azaspiro[3.4]octan-2-ol hydrochloride
CID 178199972
8,8-Difluoro-6-azaspiro[3.4]octan-2-ol
CID 177186304
2-(Trifluoromethyl)-7-azaspiro[3.5]nonan-2-ol
CID 50990613
3-(Ethylaminomethyl)-3-methyl-1-(trifluoromethyl)cyclopentan-1-ol
CID 83960350
3-Methyl-3-(propylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol
CID 83960351
2-(Difluoromethyl)-7-azaspiro[3.5]nonan-2-ol
CID 168025091
2-Methyl-6-azaspiro[3.4]octan-2-ol
CID 171034960

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol?
The IUPAC name of 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol (CID 178199973) is 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol.
What is the SMILES notation for 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol?
The canonical SMILES for 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol is OC1(C(F)(F)F)CC2(CCNC2)C1.
What is the InChIKey of 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol?
The InChIKey is KIJFUVZTWHMZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)7(13)3-6(4-7)1-2-12-5-6/h12-13H,1-5H2.
What are the key properties of 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol?
2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol has a molecular weight of 195.18 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol is sourced from PubChem (CID 178199973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).