docosafluoro-dodecahydro-1H-fluorene

• ChemBase ID: 97341
• Molecular Formular: C13F22
• Molecular Mass: 574.1039704
• Monoisotopic Mass: 573.96487084
• SMILES: FC1(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
• Canonical SMILES: FC1(F)C2(F)C(C3(C1(F)C(F)(F)C(C(C3(F)F)(F)F)(F)F)F)(F)C(F)(F)C(C(C2(F)F)(F)F)(F)F
• InChI: InChI=1S/C13F22/c14-1-2(15)4(17,9(26,27)13(34,35)11(30,31)7(2,22)23)5(18,19)3(1,16)8(24,25)12(32,33)10(28,29)6(1,20)21
• InChIKey: PDFYOLXVKFUEPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: docosafluoro-dodecahydro-1H-fluorene
• IUPAC Traditional name: docosafluoro-dodecahydro-1H-fluorene; perfluorotricyclotridecane
• Synonyms: FlutecR PP10; Perfluoroperhydrofluorene 80%

Database IDs

• CAS Number: 307-08-4
• MDL Number: MFCD00044188
• PubChem SID: 162083951
• PubChem CID: 2776345

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.7008367
• LogD (pH = 7.4): 6.7008367
• Log P: 6.7008367
• Molar Refractivity: 54.714 cm^3
• Polarizability: 23.068293 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 194°C

Safety Information

• Storage Warning: Non Hazardous

DETAILS

Apollo Scientific Ltd - PC4381R

Predominantly Perfluoroperhydrofluorene