pentadecafluorooctanimidamide

• ChemBase ID: 12092
• Molecular Formular: C8H3F15N2
• Molecular Mass: 412.098868
• Monoisotopic Mass: 412.00567141
• SMILES: C(=N)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
• Canonical SMILES: NC(=N)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H3F15N2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H3,24,25)
• InChIKey: VHJKOLAKAFYZMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentadecafluorooctanimidamide
• IUPAC Traditional name: pentadecafluorooctanimidamide
• Synonyms: Perfluorooctanamidine; Pentadecafluorooctanimidamide; Perfluorooctanamidine 97%

Database IDs

• CAS Number: 307-31-3
• MDL Number: MFCD00069165
• PubChem SID: 160975399
• PubChem CID: 2778827

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.375435
• LogD (pH = 7.4): 4.375721
• Log P: 4.375725
• Molar Refractivity: 56.0782 cm^3
• Polarizability: 17.586815 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%