8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine

C10H17F3N2O — CID 82711461

IUPAC8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NOCC(F)(F)F)C2
InChIInChI=1S/C10H17F3N2O/c1-15-8-2-3-9(15)5-7(4-8)14-16-6-10(11,12)13/h7-9,14H,2-6H2,1H3
InChIKeyBEXRSMIJNWURLK-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.70
Rot. Bonds3

About 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 82711461) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID82711461
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NOCC(F)(F)F)C2
InChIInChI=1S/C10H17F3N2O/c1-15-8-2-3-9(15)5-7(4-8)14-16-6-10(11,12)13/h7-9,14H,2-6H2,1H3
InChIKeyBEXRSMIJNWURLK-UHFFFAOYSA-N
XLogP1.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine (CID 82711461) is 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(NOCC(F)(F)F)C2.
What is the InChIKey of 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BEXRSMIJNWURLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-15-8-2-3-9(15)5-7(4-8)14-16-6-10(11,12)13/h7-9,14H,2-6H2,1H3.
What are the key properties of 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine?
8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 238.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 82711461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).