1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]pentane

• ChemBase ID: 100606
• Molecular Formular: C9F20O
• Molecular Mass: 504.063764
• Monoisotopic Mass: 503.96297902
• SMILES: O(C(F)(F)C(C(F)(F)F)(F)C(F)(F)F)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(F)F
• Canonical SMILES: FC(C(C(OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
• InChI: InChI=1S/C9F20O/c10-1(5(17,18)19,6(20,21)22)8(26,27)30-9(28,29)4(15,16)2(11,12)3(13,14)7(23,24)25
• InChIKey: ODWOZMSHTDFDFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]pentane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]pentane
• Synonyms: Perfluoro-2-trifluoromethyl-4-oxanonane 97%

Database IDs

• MDL Number: MFCD00345544
• PubChem SID: 162087348
• PubChem CID: 2776387

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.9725695
• LogD (pH = 7.4): 6.9725695
• Log P: 6.9725695
• Molar Refractivity: 48.657 cm^3
• Polarizability: 19.037565 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant