6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride

C7H11ClF3NO — CID 134818372

IUPAC6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)C2CNCC1C2
InChIInChI=1S/C7H10F3NO.ClH/c8-7(9,10)6(12)4-1-5(6)3-11-2-4;/h4-5,11-12H,1-3H2;1H
InChIKeyKLEFOMAMMFQCNZ-UHFFFAOYSA-N
MW217.62 g/mol
LogP0.94
Rot. Bonds

About 6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride

6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride (PubChem CID 134818372) has the molecular formula C7H11ClF3NO and a molecular weight of 217.62 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride.

Molecular Properties

Compound Name6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride
PubChem CID134818372
Molecular FormulaC7H11ClF3NO
Molecular Weight217.62 g/mol
Exact Mass217.05
IUPAC Name6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)C2CNCC1C2
InChIInChI=1S/C7H10F3NO.ClH/c8-7(9,10)6(12)4-1-5(6)3-11-2-4;/h4-5,11-12H,1-3H2;1H
InChIKeyKLEFOMAMMFQCNZ-UHFFFAOYSA-N
XLogP0.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.62
LogP ≤ 50.94
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-(4,4-Difluoropiperidin-3-yl)propan-2-ol
CID 150180365
6-(Trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol
CID 47003620
1,1,1-Trifluoro-2-(piperidin-3-yl)propan-2-ol
CID 50987533
(1R,5S,6s)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol
CID 52271594
(2R)-1,1,1-trifluoro-2-[(3R)-piperidin-3-yl]propan-2-ol
CID 52421258
(2S)-1,1,1-trifluoro-2-[(3R)-piperidin-3-yl]propan-2-ol
CID 52421260
(2R)-1,1,1-trifluoro-2-[(3S)-piperidin-3-yl]propan-2-ol
CID 52421262
(2S)-1,1,1-trifluoro-2-[(3S)-piperidin-3-yl]propan-2-ol
CID 52421264
1,1-Difluoro-2-piperidin-3-ylpropan-2-ol
CID 80606036
(1R,5R)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol
CID 98113029
(1S,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol
CID 98113030

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride?
The IUPAC name of 6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride (CID 134818372) is 6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride.
What is the SMILES notation for 6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride?
The canonical SMILES for 6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride is Cl.OC1(C(F)(F)F)C2CNCC1C2.
What is the InChIKey of 6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride?
The InChIKey is KLEFOMAMMFQCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO.ClH/c8-7(9,10)6(12)4-1-5(6)3-11-2-4;/h4-5,11-12H,1-3H2;1H.
What are the key properties of 6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride?
6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride has a molecular weight of 217.62 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3-azabicyclo[3.1.1]heptan-6-ol;hydrochloride is sourced from PubChem (CID 134818372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).