2,2,3,3,3-pentafluoro-N-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide

C13H15F10NO2 — CID 91710273

IUPAC2,2,3,3,3-pentafluoro-N-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide
SMILESCCCCCCCN(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F10NO2/c1-2-3-4-5-6-7-24(8(25)10(14,15)12(18,19)20)9(26)11(16,17)13(21,22)23/h2-7H2,1H3
InChIKeyFEDCRZCMUXWZSL-UHFFFAOYSA-N
MW407.25 g/mol
LogP4.71
Rot. Bonds8

About 2,2,3,3,3-pentafluoro-N-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide

2,2,3,3,3-pentafluoro-N-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide (PubChem CID 91710273) has the molecular formula C13H15F10NO2 and a molecular weight of 407.25 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide
PubChem CID91710273
Molecular FormulaC13H15F10NO2
Molecular Weight407.25 g/mol
Exact Mass407.09
IUPAC Name2,2,3,3,3-pentafluoro-N-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide
SMILESCCCCCCCN(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F10NO2/c1-2-3-4-5-6-7-24(8(25)10(14,15)12(18,19)20)9(26)11(16,17)13(21,22)23/h2-7H2,1H3
InChIKeyFEDCRZCMUXWZSL-UHFFFAOYSA-N
XLogP4.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 54.71
H-Bond Donors ≤ 50
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-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide (CID 91710273) is 2,2,3,3,3-pentafluoro-N-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide is CCCCCCCN(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide?
The InChIKey is FEDCRZCMUXWZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F10NO2/c1-2-3-4-5-6-7-24(8(25)10(14,15)12(18,19)20)9(26)11(16,17)13(21,22)23/h2-7H2,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide?
2,2,3,3,3-pentafluoro-N-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide has a molecular weight of 407.25 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-heptyl-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide is sourced from PubChem (CID 91710273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).