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

C8H9F10NS2 — CID 75406367

IUPAC2-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl]ethanamine
SMILESFC(F)(F)C(F)(F)SCCNCCSC(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F10NS2/c9-5(10,11)7(15,16)20-3-1-19-2-4-21-8(17,18)6(12,13)14/h19H,1-4H2
InChIKeyMEGPKLXRIUUZSI-UHFFFAOYSA-N
MW373.28 g/mol
LogP4.35
Rot. Bonds8

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

2-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl]ethanamine (PubChem CID 75406367) has the molecular formula C8H9F10NS2 and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl]ethanamine
PubChem CID75406367
Molecular FormulaC8H9F10NS2
Molecular Weight373.28 g/mol
Exact Mass373.00
IUPAC Name2-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl]ethanamine
SMILESFC(F)(F)C(F)(F)SCCNCCSC(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F10NS2/c9-5(10,11)7(15,16)20-3-1-19-2-4-21-8(17,18)6(12,13)14/h19H,1-4H2
InChIKeyMEGPKLXRIUUZSI-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 54.35
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-pentafluoroethylsulfanyl)-N-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl]ethanamine (CID 75406367) is 2-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl]ethanamine is FC(F)(F)C(F)(F)SCCNCCSC(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl]ethanamine?
The InChIKey is MEGPKLXRIUUZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F10NS2/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-pentafluoroethylsulfanyl)-N-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl]ethanamine?
2-(1,1,2,2,2-pentafluoroethylsulfanyl)-N-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl]ethanamine has a molecular weight of 373.28 g/mol, XLogP of 4.35, 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-pentafluoroethylsulfanyl)-N-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 75406367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).