[8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol

C11H19F3N2O — CID 61045469

IUPAC[8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol
SMILESCN1C2CCC1CC(CO)(NCC(F)(F)F)C2
InChIInChI=1S/C11H19F3N2O/c1-16-8-2-3-9(16)5-10(4-8,7-17)15-6-11(12,13)14/h8-9,15,17H,2-7H2,1H3
InChIKeyUXCDWXZWZXSICF-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.13
Rot. Bonds3

About [8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol

[8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol (PubChem CID 61045469) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is [8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol.

Molecular Properties

Compound Name[8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol
PubChem CID61045469
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name[8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol
SMILESCN1C2CCC1CC(CO)(NCC(F)(F)F)C2
InChIInChI=1S/C11H19F3N2O/c1-16-8-2-3-9(16)5-10(4-8,7-17)15-6-11(12,13)14/h8-9,15,17H,2-7H2,1H3
InChIKeyUXCDWXZWZXSICF-UHFFFAOYSA-N
XLogP1.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The IUPAC name of [8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol (CID 61045469) is [8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol.
What is the SMILES notation for [8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The canonical SMILES for [8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol is CN1C2CCC1CC(CO)(NCC(F)(F)F)C2.
What is the InChIKey of [8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The InChIKey is UXCDWXZWZXSICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-16-8-2-3-9(16)5-10(4-8,7-17)15-6-11(12,13)14/h8-9,15,17H,2-7H2,1H3.
What are the key properties of [8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol?
[8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol has a molecular weight of 252.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol is sourced from PubChem (CID 61045469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).