8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol

C12H20F3NO — CID 171964301

IUPAC8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(CCCC(F)(F)F)C2
InChIInChI=1S/C12H20F3NO/c1-16-9-3-4-10(16)8-11(17,7-9)5-2-6-12(13,14)15/h9-10,17H,2-8H2,1H3
InChIKeyIQIFNDLSMANCSH-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.71
Rot. Bonds3

About 8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171964301) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171964301
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(CCCC(F)(F)F)C2
InChIInChI=1S/C12H20F3NO/c1-16-9-3-4-10(16)8-11(17,7-9)5-2-6-12(13,14)15/h9-10,17H,2-8H2,1H3
InChIKeyIQIFNDLSMANCSH-UHFFFAOYSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171964301) is 8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol is CN1C2CCC1CC(O)(CCCC(F)(F)F)C2.
What is the InChIKey of 8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is IQIFNDLSMANCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-16-9-3-4-10(16)8-11(17,7-9)5-2-6-12(13,14)15/h9-10,17H,2-8H2,1H3.
What are the key properties of 8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 251.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171964301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).