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

C8H12F3NO — CID 67607197

IUPAC1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C(F)(F)F)(C1)N2
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7-2-1-5(12-7)3-6(13)4-7/h5-6,12-13H,1-4H2
InChIKeyIUQHFETYHAIJCN-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.19
Rot. Bonds

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

1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 67607197) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID67607197
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C(F)(F)F)(C1)N2
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7-2-1-5(12-7)3-6(13)4-7/h5-6,12-13H,1-4H2
InChIKeyIUQHFETYHAIJCN-UHFFFAOYSA-N
XLogP1.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 67607197) is 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C(F)(F)F)(C1)N2.
What is the InChIKey of 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is IUQHFETYHAIJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)7-2-1-5(12-7)3-6(13)4-7/h5-6,12-13H,1-4H2.
What are the key properties of 1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 195.18 g/mol, XLogP of 1.19, 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 is sourced from PubChem (CID 67607197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).