trifluoro(methoxy)methane

• ChemBase ID: 8653
• Molecular Formular: C2H3F3O
• Molecular Mass: 100.0398296
• Monoisotopic Mass: 100.01359938
• SMILES: O(C)C(F)(F)F
• Canonical SMILES: COC(F)(F)F
• InChI: InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3
• InChIKey: JRHMNRMPVRXNOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoro(methoxy)methane
• IUPAC Traditional name: trifluoro(methoxy)methane
• Synonyms: (Trifluoromethoxy)methane; 1,1,1-Trifluoro-2-oxapropane; Methyl trifluoromethyl ether 99%; Trifluoromethyl methyl ether

Database IDs

• CAS Number: 421-14-7
• MDL Number: MFCD01320773
• PubChem SID: 160971960
• PubChem CID: 73947

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7133323
• LogD (pH = 7.4): 1.7133323
• Log P: 1.7133323
• Molar Refractivity: 9.6196 cm^3
• Polarizability: 5.0885205 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -149°C
• Boiling Point: -24°C; -24.1°C

Safety Information

• Storage Warning: Flammable; GAS, FLAMMABLE
• TSCA Listed: false

Product Information

• Purity: 99%

DETAILS

Apollo Scientific Ltd - PC6231

Cylinder - 1/4" NPTM connection