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

C9H8F10N2O2 — CID 600698

IUPAC2,2,3,3,3-pentafluoro-N-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide
SMILESO=C(NCCCNC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F10N2O2/c10-6(11,8(14,15)16)4(22)20-2-1-3-21-5(23)7(12,13)9(17,18)19/h1-3H2,(H,20,22)(H,21,23)
InChIKeyJXCIICBILHVDPC-UHFFFAOYSA-N
MW366.16 g/mol
LogP2.00
Rot. Bonds6

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

2,2,3,3,3-pentafluoro-N-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide (PubChem CID 600698) has the molecular formula C9H8F10N2O2 and a molecular weight of 366.16 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide
PubChem CID600698
Molecular FormulaC9H8F10N2O2
Molecular Weight366.16 g/mol
Exact Mass366.04
IUPAC Name2,2,3,3,3-pentafluoro-N-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide
SMILESO=C(NCCCNC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F10N2O2/c10-6(11,8(14,15)16)4(22)20-2-1-3-21-5(23)7(12,13)9(17,18)19/h1-3H2,(H,20,22)(H,21,23)
InChIKeyJXCIICBILHVDPC-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 52.00
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-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide (CID 600698) is 2,2,3,3,3-pentafluoro-N-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide is O=C(NCCCNC(=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-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide?
The InChIKey is JXCIICBILHVDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F10N2O2/c10-6(11,8(14,15)16)4(22)20-2-1-3-21-5(23)7(12,13)9(17,18)19/h1-3H2,(H,20,22)(H,21,23).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide?
2,2,3,3,3-pentafluoro-N-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide has a molecular weight of 366.16 g/mol, XLogP of 2.00, 6 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-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide is sourced from PubChem (CID 600698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).