1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane

• ChemBase ID: 9708
• Molecular Formular: C5HF11O
• Molecular Mass: 286.0432752
• Monoisotopic Mass: 285.98517507
• SMILES: O(C(C(F)(F)F)F)C(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(F)(F)F)OC(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5HF11O/c6-1(2(7,8)9)17-5(15,16)3(10,11)4(12,13)14/h1H
• InChIKey: CUTPKDUMZWIJKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane
• IUPAC Traditional name: 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane
• Synonyms: Heptafluoropropyl 1,2,2,2-tetrafluoroethyl ether; Heptafluoropropyl 1,2,2,2-tetrafluoroethyl ether 97%

Database IDs

• CAS Number: 3330-15-2
• MDL Number: MFCD00042308
• PubChem SID: 160973015
• PubChem CID: 94258

CALCULATED PROPERTIES

• Acid pKa: 18.864912
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9796302
• LogD (pH = 7.4): 3.9796302
• Log P: 3.9796302
• Molar Refractivity: 28.7948 cm^3
• Polarizability: 11.165541 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 40-42°C
• Flash Point: none°C
• Density: 1.538
• Refractive Index: 1.2434

Safety Information

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

Product Information

• Purity: 97%