N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C10H17F3N2O — CID 82711228

IUPACN-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESFC(F)(F)CONC1CCN2CCCCC12
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7-16-14-8-4-6-15-5-2-1-3-9(8)15/h8-9,14H,1-7H2
InChIKeyRBKKCTNPKSHRMV-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.70
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 82711228) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID82711228
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC NameN-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESFC(F)(F)CONC1CCN2CCCCC12
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7-16-14-8-4-6-15-5-2-1-3-9(8)15/h8-9,14H,1-7H2
InChIKeyRBKKCTNPKSHRMV-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 N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 82711228) is N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is FC(F)(F)CONC1CCN2CCCCC12.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is RBKKCTNPKSHRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)7-16-14-8-4-6-15-5-2-1-3-9(8)15/h8-9,14H,1-7H2.
What are the key properties of N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-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 N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 82711228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).