3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol

C14H16F3NO — CID 19802612

IUPAC3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CN2CCC1CC2
InChIInChI=1S/C14H16F3NO/c15-14(16,17)12-3-1-2-11(8-12)13(19)9-18-6-4-10(13)5-7-18/h1-3,8,10,19H,4-7,9H2
InChIKeyHFMCBDPKGXVABF-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.62
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol

3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 19802612) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID19802612
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CN2CCC1CC2
InChIInChI=1S/C14H16F3NO/c15-14(16,17)12-3-1-2-11(8-12)13(19)9-18-6-4-10(13)5-7-18/h1-3,8,10,19H,4-7,9H2
InChIKeyHFMCBDPKGXVABF-UHFFFAOYSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Quifenadine
CID 65600
3-(Biphenyl-4-yl)-3-hydroxyquinuclidine
CID 9817140
1-(3-Methoxyquinuclidin-3-yl)-3-phenylhept-1-yn-3-ol
CID 9880462
(R)-1,1-bis(3-fluorophenyl)-3-(3-methoxyquinuclidin-3-yl)prop-2-yn-1-ol
CID 10199963
1-(3,3-Diphenyl-propyl)-4-(3-trifluoromethyl-phenyl)-piperidin-4-ol
CID 11743914
3-Quinuclidinol, 2-methylene-3-(3,4-xylyl)-, hydrochloride
CID 3067902
2-Quinuclidinemethanol, alpha,alpha-diphenyl-
CID 3045613
(R)-1,1-bis(4-fluorophenyl)-3-(3-methoxyquinuclidin-3-yl)prop-2-yn-1-ol
CID 44406268
3-Biphenyl-3-yl-1-aza-bicyclo[2.2.2]octan-3-ol
CID 9925666
3-(4''-Fluoro-biphenyl-4-yl)-1-aza-bicyclo[2.2.2]octan-3-ol
CID 10357278
1-(4-Isopropylcyclohexyl)-4-[3-(trifluoromethyl)phenyl]piperidine-4-ol
CID 44339424
(R)-3-(3-methoxyquinuclidin-3-yl)-1,1-bis(3-(trifluoromethyl)phenyl)prop-2-yn-1-ol
CID 44406424

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol (CID 19802612) is 3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol is OC1(c2cccc(C(F)(F)F)c2)CN2CCC1CC2.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is HFMCBDPKGXVABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)12-3-1-2-11(8-12)13(19)9-18-6-4-10(13)5-7-18/h1-3,8,10,19H,4-7,9H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 271.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 19802612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).