2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride

C7H11ClF3NO — CID 153386687

IUPAC2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CC2CCC1N2
InChIInChI=1S/C7H10F3NO.ClH/c8-7(9,10)6(12)3-4-1-2-5(6)11-4;/h4-5,11-12H,1-3H2;1H
InChIKeyKHLKBWHBFPXPBG-UHFFFAOYSA-N
MW217.62 g/mol
LogP1.23
Rot. Bonds

About 2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride

2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride (PubChem CID 153386687) has the molecular formula C7H11ClF3NO and a molecular weight of 217.62 g/mol. Its IUPAC name is 2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride
PubChem CID153386687
Molecular FormulaC7H11ClF3NO
Molecular Weight217.62 g/mol
Exact Mass217.05
IUPAC Name2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride
SMILESCl.OC1(C(F)(F)F)CC2CCC1N2
InChIInChI=1S/C7H10F3NO.ClH/c8-7(9,10)6(12)3-4-1-2-5(6)11-4;/h4-5,11-12H,1-3H2;1H
InChIKeyKHLKBWHBFPXPBG-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-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

Related Compounds

(1R,5R)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113068
(1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride
CID 155820701
(1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol
CID 178202277
(1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 101087831
3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68756269
(1R,2R,4S)-2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 154920882
cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol
CID 95241014
2-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 117194011
2'',2''-Difluoro-8'-azadispiro[cyclobutane-1,2'-bicyclo[3.2.1]octane-3',1''-cyclopropane]
CID 155892788
3-ethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 45083126
3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145739
3-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79135498

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride (CID 153386687) is 2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride is Cl.OC1(C(F)(F)F)CC2CCC1N2.
What is the InChIKey of 2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride?
The InChIKey is KHLKBWHBFPXPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO.ClH/c8-7(9,10)6(12)3-4-1-2-5(6)11-4;/h4-5,11-12H,1-3H2;1H.
What are the key properties of 2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride?
2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride has a molecular weight of 217.62 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride is sourced from PubChem (CID 153386687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).