9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol

C16H20F3NO2 — CID 171963371

IUPAC9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1C2CCCC1CC(O)(c1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C16H20F3NO2/c1-20-12-3-2-4-13(20)10-15(21,9-12)11-5-7-14(8-6-11)22-16(17,18)19/h5-8,12-13,21H,2-4,9-10H2,1H3
InChIKeyUVOWKPKSMLKJSI-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.42
Rot. Bonds2

About 9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol

9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171963371) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171963371
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1C2CCCC1CC(O)(c1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C16H20F3NO2/c1-20-12-3-2-4-13(20)10-15(21,9-12)11-5-7-14(8-6-11)22-16(17,18)19/h5-8,12-13,21H,2-4,9-10H2,1H3
InChIKeyUVOWKPKSMLKJSI-UHFFFAOYSA-N
XLogP3.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959680
8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954809
9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954546
9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962081
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955706
3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961446
3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171963326
3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957753
2-fluoro-4-(3-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzonitrile
CID 171960877
9-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954521
9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962475

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol (CID 171963371) is 9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol is CN1C2CCCC1CC(O)(c1ccc(OC(F)(F)F)cc1)C2.
What is the InChIKey of 9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is UVOWKPKSMLKJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-20-12-3-2-4-13(20)10-15(21,9-12)11-5-7-14(8-6-11)22-16(17,18)19/h5-8,12-13,21H,2-4,9-10H2,1H3.
What are the key properties of 9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol?
9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 315.33 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171963371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).