N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C12H22F2N2O — CID 103082758

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESFC(F)COCCNC1CCN2CCCC2C1
InChIInChI=1S/C12H22F2N2O/c13-12(14)9-17-7-4-15-10-3-6-16-5-1-2-11(16)8-10/h10-12,15H,1-9H2
InChIKeyZKVVTZIVFIKGFA-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.48
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 103082758) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID103082758
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESFC(F)COCCNC1CCN2CCCC2C1
InChIInChI=1S/C12H22F2N2O/c13-12(14)9-17-7-4-15-10-3-6-16-5-1-2-11(16)8-10/h10-12,15H,1-9H2
InChIKeyZKVVTZIVFIKGFA-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 103082758) is N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is FC(F)COCCNC1CCN2CCCC2C1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is ZKVVTZIVFIKGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c13-12(14)9-17-7-4-15-10-3-6-16-5-1-2-11(16)8-10/h10-12,15H,1-9H2.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 248.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 103082758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).