3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C14H22F3NO — CID 165496318

IUPAC3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2CC3CCC2CC3)C1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)12-6-5-11(19)7-13(12)18-8-9-1-3-10(18)4-2-9/h9-13,19H,1-8H2
InChIKeyLLHCBKGNKWEHKE-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.95
Rot. Bonds1

About 3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol

3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165496318) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165496318
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2CC3CCC2CC3)C1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)12-6-5-11(19)7-13(12)18-8-9-1-3-10(18)4-2-9/h9-13,19H,1-8H2
InChIKeyLLHCBKGNKWEHKE-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496308
4-(2-azabicyclo[2.2.2]octan-2-yl)oxolan-3-ol
CID 130595134
3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-tert-butylcyclohexan-1-ol
CID 165491993
1-[5-hydroxy-2-(trifluoromethyl)cyclohexyl]-3-methylpyridin-2-one
CID 165490788
4-fluoro-3-(trifluoromethyl)cyclohexan-1-ol
CID 166719534
3-[methyl-[(1-methylazetidin-3-yl)methyl]amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496382
5-(cyclopropen-1-yl)-6-(trifluoromethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol
CID 162577167
4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)cyclohexan-1-ol
CID 130816288
4-(2-azabicyclo[2.2.2]octan-2-yl)cyclohexan-1-one
CID 130595213
3-(4-cyclopropylpiperazin-1-yl)cyclopentan-1-ol
CID 79643255
4-(trifluoromethyl)cyclohexan-1-ol
CID 129011106
1,2-dicyclohexylpiperidin-4-ol
CID 139860262

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 165496318) is 3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol is OC1CCC(C(F)(F)F)C(N2CC3CCC2CC3)C1.
What is the InChIKey of 3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is LLHCBKGNKWEHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c15-14(16,17)12-6-5-11(19)7-13(12)18-8-9-1-3-10(18)4-2-9/h9-13,19H,1-8H2.
What are the key properties of 3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 277.33 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.2]octan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165496318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).