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

C10H15F3N2O — CID 176944360

IUPAC8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN1C2CCC1CC(=NOCC(F)(F)F)C2
InChIInChI=1S/C10H15F3N2O/c1-15-8-2-3-9(15)5-7(4-8)14-16-6-10(11,12)13/h8-9H,2-6H2,1H3
InChIKeyRINCYQFTDSSNGI-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.18
Rot. Bonds2

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

8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-imine (PubChem CID 176944360) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-imine.

Molecular Properties

Compound Name8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-imine
PubChem CID176944360
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN1C2CCC1CC(=NOCC(F)(F)F)C2
InChIInChI=1S/C10H15F3N2O/c1-15-8-2-3-9(15)5-7(4-8)14-16-6-10(11,12)13/h8-9H,2-6H2,1H3
InChIKeyRINCYQFTDSSNGI-UHFFFAOYSA-N
XLogP2.18
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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-imine?
The IUPAC name of 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-imine (CID 176944360) is 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-imine.
What is the SMILES notation for 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-imine?
The canonical SMILES for 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-imine 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-imine?
The InChIKey is RINCYQFTDSSNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-15-8-2-3-9(15)5-7(4-8)14-16-6-10(11,12)13/h8-9H,2-6H2,1H3.
What are the key properties of 8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-imine?
8-methyl-N-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octan-3-imine has a molecular weight of 236.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 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-imine is sourced from PubChem (CID 176944360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).