9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol

C13H22F3NO — CID 171964311

IUPAC9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1C2CCCC1CC(O)(CCCC(F)(F)F)C2
InChIInChI=1S/C13H22F3NO/c1-17-10-4-2-5-11(17)9-12(18,8-10)6-3-7-13(14,15)16/h10-11,18H,2-9H2,1H3
InChIKeyDKDSWDMRBRFAFH-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.10
Rot. Bonds3

About 9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol

9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171964311) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171964311
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1C2CCCC1CC(O)(CCCC(F)(F)F)C2
InChIInChI=1S/C13H22F3NO/c1-17-10-4-2-5-11(17)9-12(18,8-10)6-3-7-13(14,15)16/h10-11,18H,2-9H2,1H3
InChIKeyDKDSWDMRBRFAFH-UHFFFAOYSA-N
XLogP3.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
9-Methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171951291
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

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171964311) is 9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol is CN1C2CCCC1CC(O)(CCCC(F)(F)F)C2.
What is the InChIKey of 9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is DKDSWDMRBRFAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-17-10-4-2-5-11(17)9-12(18,8-10)6-3-7-13(14,15)16/h10-11,18H,2-9H2,1H3.
What are the key properties of 9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol?
9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 265.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171964311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).