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

C8H13ClF3NO — CID 178199972

IUPAC2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CC2(CCNC2)C1
InChIInChI=1S/C8H12F3NO.ClH/c9-8(10,11)7(13)3-6(4-7)1-2-12-5-6;/h12-13H,1-5H2;1H
InChIKeyKUZLIYSMRXTWBJ-UHFFFAOYSA-N
MW231.64 g/mol
LogP1.48
Rot. Bonds

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

2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol;hydrochloride (PubChem CID 178199972) has the molecular formula C8H13ClF3NO and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol;hydrochloride
PubChem CID178199972
Molecular FormulaC8H13ClF3NO
Molecular Weight231.64 g/mol
Exact Mass231.06
IUPAC Name2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CC2(CCNC2)C1
InChIInChI=1S/C8H12F3NO.ClH/c9-8(10,11)7(13)3-6(4-7)1-2-12-5-6;/h12-13H,1-5H2;1H
InChIKeyKUZLIYSMRXTWBJ-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 51.48
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
8,8-Difluoro-6-azaspiro[3.4]octan-2-ol
CID 177186304
2-(Trifluoromethyl)-7-azaspiro[3.5]nonan-2-ol
CID 50990613
2-(Difluoromethyl)-7-azaspiro[3.5]nonan-2-ol
CID 168025091
2-(Trifluoromethyl)-6-azaspiro[3.4]octan-2-ol
CID 178199973
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;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol;hydrochloride (CID 178199972) is 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol;hydrochloride is Cl.OC1(C(F)(F)F)CC2(CCNC2)C1.
What is the InChIKey of 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol;hydrochloride?
The InChIKey is KUZLIYSMRXTWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO.ClH/c9-8(10,11)7(13)3-6(4-7)1-2-12-5-6;/h12-13H,1-5H2;1H.
What are the key properties of 2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol;hydrochloride?
2-(trifluoromethyl)-6-azaspiro[3.4]octan-2-ol;hydrochloride has a molecular weight of 231.64 g/mol, XLogP of 1.48, 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;hydrochloride is sourced from PubChem (CID 178199972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).