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Molecule
2,3,3,3-Tetrafluoro-2-(1,1,2,2,3,3,3-Heptafluoropropoxy)Propanoyl Fluoride
CAS: 2062-98-8 · C6F12O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2062-98-8
- Molecular Formula
- C6F12O2
- Molecular Mass
- 332.04 g/mol
Identifiers
CAS Registry Number
2062-98-8
SMILES
O=C(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChI Key
BCLQALQSEBVVAD-UHFFFAOYSA-N
InChI
InChI=1S/C6F12O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16
Names and Synonyms
- 2,3,3,3-Tetrafluoro-2-(1,1,2,2,3,3,3-Heptafluoropropoxy)Propanoyl Fluoride Synonym
- Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)- Synonym
- Propionyl fluoride, tetrafluoro-2-(heptafluoropropoxy)- Synonym
- Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)- Synonym
- Propionyl fluoride, 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)- Synonym
- 2,3,3,3-Tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride Synonym
- 2-(Heptafluoropropoxy)tetrafluoropropionyl fluoride Synonym
- 2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)propanoyl fluoride Synonym
- Hexafluoropropene oxide dimer Synonym
- Perfluoro-2-propoxypropanoyl fluoride Synonym
- Perfluoro-2-(trifluoromethyl)-3-oxahexanoyl fluoride Synonym
- Perfluoro(2-methyl-3-oxahexanoyl) fluoride Synonym
- 2-(Perfluoropropoxy)perfluoropropanoyl fluoride Synonym
- 2-Heptafluoropropoxy-2,3,3,3-tetrafluoropropanoyl fluoride Synonym
- 2-(Heptafluoropropoxy)-2,3,3,3-tetrafluoropropionyl fluoride Synonym
- Perfluoro-2-methyl-3-oxa-hexanacid fluoride Synonym
- Perfluoro-2-methyl-3-oxa-hexanoic acid fluoride Synonym
- 2,3,3,3-Tetrafluoro-2-(perfluoropropoxy)propanoyl fluoride Synonym
- 2-(Perfluoropropyloxy)perfluoropropanoyl fluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 332.04 g/mol | CAS Common Chemistry |
| 332.03999999999996 g/mol | RDKit | |
| Boiling Point | 55-57 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C6F12O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16 | CAS Common Chemistry |
| InChI Key | InChIKey=BCLQALQSEBVVAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,3,3,3-Tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.5176 | RDKit |
| Molar Refractivity | 33.043 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 331.97066788 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
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MW = 332.04 g/mol. Edit any field — others recompute live.
