3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane

C8H12F3N — CID 118008118

IUPAC3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
SMILESFC(F)(F)C1CC2CCC(C1)N2
InChIInChI=1S/C8H12F3N/c9-8(10,11)5-3-6-1-2-7(4-5)12-6/h5-7,12H,1-4H2
InChIKeyADSOSOUJVRZMFX-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.08
Rot. Bonds

About 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane

3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 118008118) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
PubChem CID118008118
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
SMILESFC(F)(F)C1CC2CCC(C1)N2
InChIInChI=1S/C8H12F3N/c9-8(10,11)5-3-6-1-2-7(4-5)12-6/h5-7,12H,1-4H2
InChIKeyADSOSOUJVRZMFX-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-8-azabicyclo(3.2.1)octane
CID 20659822
3-Methyl-8-azabicyclo[3.2.1]octane hydrochloride
CID 67505806
3-(2,2,2-Trifluoroethyl)-8-azabicyclo(3.2.1)octane
CID 132327689
3-(2-Fluoroethyl)-8-azabicyclo[3.2.1]octane
CID 132343955
3-(2,2-Difluoroethyl)-8-azabicyclo(3.2.1)octane hydrochloride
CID 137838125
(2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine
CID 138040164
(1S,2R,4S,6R)-4-(trifluoromethyl)-9-azatricyclo[4.2.1.0,2,4]nonane
CID 167716208
(5R)-3'-cyclopropyl-1',1'-difluorospiro[8-azoniabicyclo[3.2.1]octane-3,2'-cyclopropane]
CID 154709095
1',1'-Difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]
CID 131703629
4-[1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl]piperidine
CID 66271308
4-[1-(3,3,3-Trifluoropropyl)pyrrolidin-2-yl]piperidine
CID 66274080
3-Fluoro-3-methyl-8-azabicyclo[3.2.1]octane
CID 68756270

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane (CID 118008118) is 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane is FC(F)(F)C1CC2CCC(C1)N2.
What is the InChIKey of 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is ADSOSOUJVRZMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)5-3-6-1-2-7(4-5)12-6/h5-7,12H,1-4H2.
What are the key properties of 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 179.18 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 118008118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).