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Molecule
Poly(Difluoromethylene), Α-Fluoro-Ω-[2-[(2-Methyl-1-Oxo-2-Propen-1-Yl)Oxy]Ethyl]-
CAS: 65530-66-7 · C7H9F3O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 65530-66-7
- Molecular Formula
- C7H9F3O2
- Molecular Mass
- 182.14 g/mol
Identifiers
CAS Registry Number
65530-66-7
SMILES
C=C(C)C(=O)OCCC(F)(F)F
InChI Key
DCEGHEFYVNDALO-UHFFFAOYSA-N
InChI
InChI=1S/C7H9F3O2/c1-5(2)6(11)12-4-3-7(8,9)10/h1,3-4H2,2H3
Names and Synonyms
- Poly(Difluoromethylene), Α-Fluoro-Ω-[2-[(2-Methyl-1-Oxo-2-Propen-1-Yl)Oxy]Ethyl]- Synonym
- Poly(difluoromethylene), α-fluoro-ω-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]- Synonym
- Poly(difluoromethylene), α-fluoro-ω-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.14 g/mol | CAS Common Chemistry |
| 182.14099999999996 g/mol | RDKit | |
| 182.141 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCC(F)(F)F)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9F3O2/c1-5(2)6(11)12-4-3-7(8,9)10/h1,3-4H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DCEGHEFYVNDALO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Poly(difluoromethylene), α-fluoro-ω-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]- | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.0581 | RDKit |
| Molar Refractivity | 36.445 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 182.055464188 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 182.14 g/mol. Edit any field — others recompute live.
