1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

C8H13ClF3NO — CID 67607196

IUPAC1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESCl.OC1CC2CCC(C(F)(F)F)(C1)N2
InChIInChI=1S/C8H12F3NO.ClH/c9-8(10,11)7-2-1-5(12-7)3-6(13)4-7;/h5-6,12-13H,1-4H2;1H
InChIKeyIFQMWBPSZDZLBI-UHFFFAOYSA-N
MW231.64 g/mol
LogP1.62
Rot. Bonds

About 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (PubChem CID 67607196) has the molecular formula C8H13ClF3NO and a molecular weight of 231.64 g/mol. Its IUPAC name is 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.

Molecular Properties

Compound Name1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
PubChem CID67607196
Molecular FormulaC8H13ClF3NO
Molecular Weight231.64 g/mol
Exact Mass231.06
IUPAC Name1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESCl.OC1CC2CCC(C(F)(F)F)(C1)N2
InChIInChI=1S/C8H12F3NO.ClH/c9-8(10,11)7-2-1-5(12-7)3-6(13)4-7;/h5-6,12-13H,1-4H2;1H
InChIKeyIFQMWBPSZDZLBI-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The IUPAC name of 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (CID 67607196) is 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.
What is the SMILES notation for 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The canonical SMILES for 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is Cl.OC1CC2CCC(C(F)(F)F)(C1)N2.
What is the InChIKey of 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The InChIKey is IFQMWBPSZDZLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO.ClH/c9-8(10,11)7-2-1-5(12-7)3-6(13)4-7;/h5-6,12-13H,1-4H2;1H.
What are the key properties of 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride has a molecular weight of 231.64 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is sourced from PubChem (CID 67607196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).