7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl fluoride

• ChemBase ID: 100640
• Molecular Formular: C7ClF13O
• Molecular Mass: 382.5065416
• Monoisotopic Mass: 381.94300916
• SMILES: FC(C(F)(C(F)(F)C(F)(F)C(C(C(=O)F)(F)F)(F)F)F)(F)Cl
• Canonical SMILES: FC(=O)C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7ClF13O/c8-7(20,21)6(18,19)5(16,17)4(14,15)3(12,13)2(10,11)1(9)22
• InChIKey: JSDBFOSAQSKPPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl fluoride
• IUPAC Traditional name: 7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl fluoride
• Synonyms: 7-Chloroperfluoroheptanoyl fluoride

Database IDs

• CAS Number: 662-63-5
• MDL Number: MFCD00153753
• PubChem SID: 162087353
• PubChem CID: 2736635

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.8646235
• LogD (pH = 7.4): 4.8646235
• Log P: 4.8646235
• Molar Refractivity: 41.0522 cm^3
• Polarizability: 16.084673 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 46°C/55mm

Safety Information

• Storage Warning: Corrosive/Irritant