1,1,1,2,2,3,3-heptafluoro-3-methoxypropane

• ChemBase ID: 9553
• Molecular Formular: C4H3F7O
• Molecular Mass: 200.0548424
• Monoisotopic Mass: 200.00721226
• SMILES: C(C(C(OC)(F)F)(F)F)(F)(F)F
• Canonical SMILES: COC(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3
• InChIKey: NOPJRYAFUXTDLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3-heptafluoro-3-methoxypropane
• IUPAC Traditional name: heptafluoropropyl methyl ether
• Synonyms: Heptafluoro-1-methoxypropane; Heptafluoro-1-methoxypropane; Heptafluoropropyl methyl ether 98%

Database IDs

• CAS Number: 375-03-1
• MDL Number: MFCD01320779
• PubChem SID: 160972860
• PubChem CID: 2774943

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.628427
• LogD (pH = 7.4): 2.628427
• Log P: 2.628427
• Molar Refractivity: 23.6957 cm^3
• Polarizability: 8.892435 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -123°C
• Boiling Point: 34°C; 34.18°C
• Flash Point: none°C
• Density: 1.409

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 98%

DETAILS

Apollo Scientific Ltd - PC7008

Viscosity 0.471cp@ 23C; Surface tension 12.39 dynes/cm.. Cylinder-1/4" NPT connection