tridecafluoroheptanamide

• ChemBase ID: 15292
• Molecular Formular: C7H2F13NO
• Molecular Mass: 363.0761216
• Monoisotopic Mass: 362.99288055
• SMILES: C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
• Canonical SMILES: NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7H2F13NO/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H2,21,22)
• InChIKey: SMJYTRJJHRJAED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridecafluoroheptanamide
• IUPAC Traditional name: tridecafluoroheptanamide
• Synonyms: Tridecafluoroheptanamide; 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanamide; Perfluoroheptanamide

Database IDs

• CAS Number: 2358-22-7
• MDL Number: MFCD00407510
• PubChem SID: 160978599
• PubChem CID: 2769670

CALCULATED PROPERTIES

• Acid pKa: 3.2639632
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8811252
• LogD (pH = 7.4): 3.8822944
• Log P: 3.605254
• Molar Refractivity: 38.8161 cm^3
• Polarizability: 15.247322 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121.5-122.5°C; 136°C
• Flash Point: >110°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%