3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C15H17F4NO — CID 171963783

IUPAC3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(c1ccc(F)cc1C(F)(F)F)C2
InChIInChI=1S/C15H17F4NO/c1-20-10-3-4-11(20)8-14(21,7-10)12-5-2-9(16)6-13(12)15(17,18)19/h2,5-6,10-11,21H,3-4,7-8H2,1H3
InChIKeyNQQVFIYTQUERAB-UHFFFAOYSA-N
MW303.30 g/mol
LogP3.29
Rot. Bonds1

About 3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171963783) has the molecular formula C15H17F4NO and a molecular weight of 303.30 g/mol. Its IUPAC name is 3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171963783
Molecular FormulaC15H17F4NO
Molecular Weight303.30 g/mol
Exact Mass303.12
IUPAC Name3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(c1ccc(F)cc1C(F)(F)F)C2
InChIInChI=1S/C15H17F4NO/c1-20-10-3-4-11(20)8-14(21,7-10)12-5-2-9(16)6-13(12)15(17,18)19/h2,5-6,10-11,21H,3-4,7-8H2,1H3
InChIKeyNQQVFIYTQUERAB-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171963930
8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962490
3-[3-fluoro-5-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963659
3-[5-fluoro-2-(trifluoromethyl)phenyl]-8-thiabicyclo[3.2.1]octan-3-ol
CID 171963814
8-methyl-3-(2,4,6-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962515
9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963965
9-methyl-3-(2,3,4-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962475
3-(5-fluoro-2-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171964645
3-(2-fluoro-5-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171961585
8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171964029
9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955706
3-(2-fluoro-3-methylphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959192

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171963783) is 3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is CN1C2CCC1CC(O)(c1ccc(F)cc1C(F)(F)F)C2.
What is the InChIKey of 3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NQQVFIYTQUERAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO/c1-20-10-3-4-11(20)8-14(21,7-10)12-5-2-9(16)6-13(12)15(17,18)19/h2,5-6,10-11,21H,3-4,7-8H2,1H3.
What are the key properties of 3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 303.30 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171963783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).