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

C8H10ClF10NO2 — CID 121233919

IUPAC2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine;hydrochloride
SMILESCl.FC(F)(F)C(F)(F)OCCNCCOC(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F10NO2.ClH/c9-5(10,11)7(15,16)20-3-1-19-2-4-21-8(17,18)6(12,13)14;/h19H,1-4H2;1H
InChIKeyQJFVSNRPXPKZJK-UHFFFAOYSA-N
MW377.61 g/mol
LogP3.34
Rot. Bonds8

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

2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine;hydrochloride (PubChem CID 121233919) has the molecular formula C8H10ClF10NO2 and a molecular weight of 377.61 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine;hydrochloride
PubChem CID121233919
Molecular FormulaC8H10ClF10NO2
Molecular Weight377.61 g/mol
Exact Mass377.02
IUPAC Name2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine;hydrochloride
SMILESCl.FC(F)(F)C(F)(F)OCCNCCOC(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F10NO2.ClH/c9-5(10,11)7(15,16)20-3-1-19-2-4-21-8(17,18)6(12,13)14;/h19H,1-4H2;1H
InChIKeyQJFVSNRPXPKZJK-UHFFFAOYSA-N
XLogP3.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.61
LogP ≤ 53.34
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;hydrochloride?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine;hydrochloride (CID 121233919) is 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is QJFVSNRPXPKZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F10NO2.ClH/c9-5(10,11)7(15,16)20-3-1-19-2-4-21-8(17,18)6(12,13)14;/h19H,1-4H2;1H.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine;hydrochloride?
2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine;hydrochloride has a molecular weight of 377.61 g/mol, XLogP of 3.34, 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;hydrochloride is sourced from PubChem (CID 121233919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).