tridecafluoroheptanoyl fluoride

• ChemBase ID: 15283
• Molecular Formular: C7F14O
• Molecular Mass: 366.0519448
• Monoisotopic Mass: 365.9725597
• SMILES: C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7F14O/c8-1(22)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21
• InChIKey: XLIFBQWTSCGUEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridecafluoroheptanoyl fluoride
• IUPAC Traditional name: tridecafluoroheptanoyl fluoride
• Synonyms: Perfluoroheptanoyl fluoride; Perfluoroheptanoyl fluoride 98%

Database IDs

• CAS Number: 375-84-8
• MDL Number: MFCD06248654
• PubChem SID: 160978590
• PubChem CID: 67817

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.657937
• LogD (pH = 7.4): 4.657937
• Log P: 4.657937
• Molar Refractivity: 36.2174 cm^3
• Polarizability: 14.329328 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 91°C

Safety Information

• Storage Warning: Corrosive; IRRITANT, CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 97%