2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide

C8H6F10N2O2 — CID 600476

IUPAC2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide
SMILESO=C(NCCNC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F10N2O2/c9-5(10,7(13,14)15)3(21)19-1-2-20-4(22)6(11,12)8(16,17)18/h1-2H2,(H,19,21)(H,20,22)
InChIKeyFIYBCTKHPJMSKA-UHFFFAOYSA-N
MW352.13 g/mol
LogP1.61
Rot. Bonds5

About 2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide

2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide (PubChem CID 600476) has the molecular formula C8H6F10N2O2 and a molecular weight of 352.13 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide
PubChem CID600476
Molecular FormulaC8H6F10N2O2
Molecular Weight352.13 g/mol
Exact Mass352.03
IUPAC Name2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide
SMILESO=C(NCCNC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F10N2O2/c9-5(10,7(13,14)15)3(21)19-1-2-20-4(22)6(11,12)8(16,17)18/h1-2H2,(H,19,21)(H,20,22)
InChIKeyFIYBCTKHPJMSKA-UHFFFAOYSA-N
XLogP1.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.13
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide (CID 600476) is 2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide is O=C(NCCNC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide?
The InChIKey is FIYBCTKHPJMSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F10N2O2/c9-5(10,7(13,14)15)3(21)19-1-2-20-4(22)6(11,12)8(16,17)18/h1-2H2,(H,19,21)(H,20,22).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide?
2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide has a molecular weight of 352.13 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]propanamide is sourced from PubChem (CID 600476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).