2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine

C8H9F10NO2 — CID 12046721

IUPAC2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)C(F)(F)OCCNCCOC(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F10NO2/c9-5(10,11)7(15,16)20-3-1-19-2-4-21-8(17,18)6(12,13)14/h19H,1-4H2
InChIKeyRAKJSWWBFGDHRE-UHFFFAOYSA-N
MW341.15 g/mol
LogP2.92
Rot. Bonds8

About 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine

2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine (PubChem CID 12046721) has the molecular formula C8H9F10NO2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine
PubChem CID12046721
Molecular FormulaC8H9F10NO2
Molecular Weight341.15 g/mol
Exact Mass341.05
IUPAC Name2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)C(F)(F)OCCNCCOC(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F10NO2/c9-5(10,11)7(15,16)20-3-1-19-2-4-21-8(17,18)6(12,13)14/h19H,1-4H2
InChIKeyRAKJSWWBFGDHRE-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine (CID 12046721) is 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine is FC(F)(F)C(F)(F)OCCNCCOC(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine?
The InChIKey is RAKJSWWBFGDHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F10NO2/c9-5(10,11)7(15,16)20-3-1-19-2-4-21-8(17,18)6(12,13)14/h19H,1-4H2.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine?
2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine has a molecular weight of 341.15 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 12046721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).