2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol

C9H14F3NO — CID 117050342

IUPAC2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol
SMILESOC1CC2CCC1CN2CC(F)(F)F
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-13-4-6-1-2-7(13)3-8(6)14/h6-8,14H,1-5H2
InChIKeyASZKDOUUGAJGQH-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.39
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol

2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol (PubChem CID 117050342) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol
PubChem CID117050342
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol
SMILESOC1CC2CCC1CN2CC(F)(F)F
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-13-4-6-1-2-7(13)3-8(6)14/h6-8,14H,1-5H2
InChIKeyASZKDOUUGAJGQH-UHFFFAOYSA-N
XLogP1.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(5R,6S)-6-fluoro-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]-methylborinic acid
CID 167369711
[(5S,6S)-6-fluoro-5-hydroxy-2-azabicyclo[2.2.2]octan-2-yl]-methylborinic acid
CID 167369944
3-[3-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618127
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618233
3-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490690
3-(3,3-Difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490703
3-(4-Fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490772
3-[4-(Fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490773
3-(Piperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496229
3-{2-Azabicyclo[2.2.2]octan-2-yl}-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496318
3-(4,4-Difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496381
3-(3,3-Difluoropiperidin-1-yl)-4-methylcyclohexan-1-ol
CID 165498250

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol (CID 117050342) is 2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol is OC1CC2CCC1CN2CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol?
The InChIKey is ASZKDOUUGAJGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)5-13-4-6-1-2-7(13)3-8(6)14/h6-8,14H,1-5H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol?
2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol has a molecular weight of 209.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol is sourced from PubChem (CID 117050342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).