3-(difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C9H15F2NO — CID 80604649

IUPAC3-(difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(C(F)F)C2
InChIInChI=1S/C9H15F2NO/c1-12-6-2-3-7(12)5-9(13,4-6)8(10)11/h6-8,13H,2-5H2,1H3
InChIKeyXUNYRZBJQHBHOD-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.24
Rot. Bonds1

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

3-(difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80604649) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80604649
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name3-(difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(C(F)F)C2
InChIInChI=1S/C9H15F2NO/c1-12-6-2-3-7(12)5-9(13,4-6)8(10)11/h6-8,13H,2-5H2,1H3
InChIKeyXUNYRZBJQHBHOD-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 382572
3-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol hydrochloride
CID 68756484
(1R,5S)-3-hydroxy-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 10944366
3-Cyano-3-hydroxy-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane
CID 18316935
3-Hydroxy-8-methyl-2-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 18316936
3-Cyano-3-hydroxy-8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octane
CID 18352160
3-Hydroxy-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-1,3-dicarbonitrile
CID 18352162
3-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 50990616
(1R,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 52420906
Tert-butyl 3-hydroxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 57927168
3-(1,1-Difluoroethyl)-8-methanidyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 58123630
8-Methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 61644733

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 80604649) is 3-(difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is CN1C2CCC1CC(O)(C(F)F)C2.
What is the InChIKey of 3-(difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is XUNYRZBJQHBHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-12-6-2-3-7(12)5-9(13,4-6)8(10)11/h6-8,13H,2-5H2,1H3.
What are the key properties of 3-(difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
3-(difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 191.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80604649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).