9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol

C10H16F3NO — CID 171951291

IUPAC9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1C2CCCC1CC(O)(C(F)(F)F)C2
InChIInChI=1S/C10H16F3NO/c1-14-7-3-2-4-8(14)6-9(15,5-7)10(11,12)13/h7-8,15H,2-6H2,1H3
InChIKeyLVUIYTPJBXFFPG-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.93
Rot. Bonds

About 9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol

9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171951291) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171951291
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1C2CCCC1CC(O)(C(F)(F)F)C2
InChIInChI=1S/C10H16F3NO/c1-14-7-3-2-4-8(14)6-9(15,5-7)10(11,12)13/h7-8,15H,2-6H2,1H3
InChIKeyLVUIYTPJBXFFPG-UHFFFAOYSA-N
XLogP1.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 50990618
(1R,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 52420910
(1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113066
(1R,5R)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113068
4-[(3,3-Difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol
CID 114224450
4-[(3,3-Difluorocyclopentyl)methyl]-1-propan-2-ylpiperidin-4-ol
CID 114224451
4-[(3,3-Difluorocyclopentyl)methyl]-1,2-dimethylpiperidin-4-ol
CID 114224516
1,2-Dimethyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 115515696
9-Boc-3-hydroxy-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane
CID 137333297
3-(5-Fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952253
3-(5-Fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952254
9-Methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952304

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171951291) is 9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol is CN1C2CCCC1CC(O)(C(F)(F)F)C2.
What is the InChIKey of 9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is LVUIYTPJBXFFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-14-7-3-2-4-8(14)6-9(15,5-7)10(11,12)13/h7-8,15H,2-6H2,1H3.
What are the key properties of 9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 223.24 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171951291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).