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

C8H12F3NO — CID 50990616

IUPAC3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(C(F)(F)F)CC2CCC(C1)N2
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13)3-5-1-2-6(4-7)12-5/h5-6,12-13H,1-4H2
InChIKeyRZACNMVDSIXILK-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.19
Rot. Bonds

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

3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 50990616) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID50990616
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(C(F)(F)F)CC2CCC(C1)N2
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13)3-5-1-2-6(4-7)12-5/h5-6,12-13H,1-4H2
InChIKeyRZACNMVDSIXILK-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 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 50990616) is 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(C(F)(F)F)CC2CCC(C1)N2.
What is the InChIKey of 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is RZACNMVDSIXILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)7(13)3-5-1-2-6(4-7)12-5/h5-6,12-13H,1-4H2.
What are the key properties of 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(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 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 50990616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).