2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate

C8H5F10NO3 — CID 12589532

IUPAC2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(NCCOC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F10NO3/c9-5(10,7(13,14)15)3(20)19-1-2-22-4(21)6(11,12)8(16,17)18/h1-2H2,(H,19,20)
InChIKeyWCWLUXNTNHXCDT-UHFFFAOYSA-N
MW353.11 g/mol
LogP2.04
Rot. Bonds5

About 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate

2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 12589532) has the molecular formula C8H5F10NO3 and a molecular weight of 353.11 g/mol. Its IUPAC name is 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID12589532
Molecular FormulaC8H5F10NO3
Molecular Weight353.11 g/mol
Exact Mass353.01
IUPAC Name2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(NCCOC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F10NO3/c9-5(10,7(13,14)15)3(20)19-1-2-22-4(21)6(11,12)8(16,17)18/h1-2H2,(H,19,20)
InChIKeyWCWLUXNTNHXCDT-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.11
LogP ≤ 52.04
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-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate (CID 12589532) is 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate is O=C(NCCOC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is WCWLUXNTNHXCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F10NO3/c9-5(10,7(13,14)15)3(20)19-1-2-22-4(21)6(11,12)8(16,17)18/h1-2H2,(H,19,20).
What are the key properties of 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate?
2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 353.11 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 12589532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).