9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol

C15H18F3NO — CID 171962475

IUPAC9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1C2CCCC1CC(O)(c1ccc(F)c(F)c1F)C2
InChIInChI=1S/C15H18F3NO/c1-19-9-3-2-4-10(19)8-15(20,7-9)11-5-6-12(16)14(18)13(11)17/h5-6,9-10,20H,2-4,7-8H2,1H3
InChIKeyUXIIEWHVHLPBJP-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.94
Rot. Bonds1

About 9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol

9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171962475) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171962475
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1C2CCCC1CC(O)(c1ccc(F)c(F)c1F)C2
InChIInChI=1S/C15H18F3NO/c1-19-9-3-2-4-10(19)8-15(20,7-9)11-5-6-12(16)14(18)13(11)17/h5-6,9-10,20H,2-4,7-8H2,1H3
InChIKeyUXIIEWHVHLPBJP-UHFFFAOYSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959192
8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962490
3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol
CID 107449831
2-fluoro-4-(3-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzonitrile
CID 171960877
3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961446
3-(2-fluoro-5-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171961585
3-(2-fluoro-6-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961471
6-(2,3,4-trifluorophenyl)bicyclo[3.1.0]hexan-6-ol
CID 79755983
9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963965
3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963783
1-(2,3,4-trifluorophenyl)cycloheptan-1-ol
CID 62964767
4,4-dimethyl-1-(2,3,4-trifluorophenyl)cycloheptan-1-ol
CID 65085438

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171962475) is 9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol is CN1C2CCCC1CC(O)(c1ccc(F)c(F)c1F)C2.
What is the InChIKey of 9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is UXIIEWHVHLPBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-19-9-3-2-4-10(19)8-15(20,7-9)11-5-6-12(16)14(18)13(11)17/h5-6,9-10,20H,2-4,7-8H2,1H3.
What are the key properties of 9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 285.31 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171962475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).