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Molecule
Methyl 2,2,3,3-Tetrafluoro-3-Methoxypropanoate
CAS: 755-73-7 · C5H6F4O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 755-73-7
- Molecular Formula
- C5H6F4O3
- Molecular Mass
- 190.09 g/mol
Identifiers
CAS Registry Number
755-73-7
SMILES
COC(=O)C(F)(F)C(F)(F)OC
InChI Key
NDNOUXQCMAHOSA-UHFFFAOYSA-N
InChI
InChI=1S/C5H6F4O3/c1-11-3(10)4(6,7)5(8,9)12-2/h1-2H3
Names and Synonyms
- Methyl 2,2,3,3-Tetrafluoro-3-Methoxypropanoate Systematic Name
- Propanoic acid, 2,2,3,3-tetrafluoro-3-methoxy-, methyl ester Synonym
- Propionic acid, 2,2,3,3-tetrafluoro-3-methoxy-, methyl ester Synonym
- Methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate Synonym
- Methyl 3-methoxyperfluoropropionate Synonym
- Methyl 3-methoxytetrafluoropropionate Synonym
- Methyl 2,2,3,3-tetrafluoro-3-methoxypropionate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.09 g/mol | CAS Common Chemistry |
| 190.09199999999998 g/mol | RDKit | |
| 190.092 g/mol | RDKit | |
| Canonical SMILES | O=C(OC)C(F)(F)C(F)(F)OC | CAS Common Chemistry |
| InChI | InChI=1S/C5H6F4O3/c1-11-3(10)4(6,7)5(8,9)12-2/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NDNOUXQCMAHOSA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 1.0338999999999998 | RDKit |
| 1.0339 | RDKit | |
| Molar Refractivity | 28.918999999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 190.025306932 g/mol | RDKit |
| Boiling Point | 66-71 °C @ 49 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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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| 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 = 190.09 g/mol. Edit any field — others recompute live.
