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Molecule
Perfluoro(Methyl Vinyl Ether)
CAS: 1187-93-5 · C3F6O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1187-93-5
- Molecular Formula
- C3F6O
- Molecular Mass
- 166.02 g/mol
Identifiers
CAS Registry Number
1187-93-5
SMILES
FC(F)=C(F)OC(F)(F)F
InChI Key
BLTXWCKMNMYXEA-UHFFFAOYSA-N
InChI
InChI=1S/C3F6O/c4-1(5)2(6)10-3(7,8)9
Names and Synonyms
- Perfluoro(Methyl Vinyl Ether) Synonym
- Ethene, 1,1,2-trifluoro-2-(trifluoromethoxy)- Synonym
- Ether, trifluoromethyl trifluorovinyl Synonym
- Ethene, trifluoro(trifluoromethoxy)- Synonym
- 1,1,2-Trifluoro-2-(trifluoromethoxy)ethene Synonym
- Trifluoromethyl trifluorovinyl ether Synonym
- Trifluoro(trifluoromethoxy)ethylene Synonym
- Perfluoro(methyl vinyl ether) Synonym
- 3-Oxaperfluorobutene Synonym
- Perfluorovinyl perfluoromethyl ether Synonym
- Trifluoromethoxytrifluoroethylene Synonym
- PMVE Synonym
- (Trifluorovinyl)(trifluoromethyl)ether Synonym
- Perfluorovinyl trifluoromethyl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.02 g/mol | CAS Common Chemistry |
| 166.01999999999998 g/mol | RDKit | |
| Boiling Point | -22 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)=C(F)OC(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C3F6O/c4-1(5)2(6)10-3(7,8)9 | CAS Common Chemistry |
| InChI Key | InChIKey=BLTXWCKMNMYXEA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Perfluoro(methyl vinyl ether) | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.5579 | RDKit |
| 2.5 | chempirical lib | |
| Molar Refractivity | 17.490000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 165.98533394 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 166.02 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3F6O.
