Back to Search
Molecule
Heptafluoroisopropyl Acrylate
CAS: 13057-08-4 · C6H3F7O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13057-08-4
- Molecular Formula
- C6H3F7O2
- Molecular Mass
- 240.07 g/mol
Identifiers
CAS Registry Number
13057-08-4
SMILES
C=CC(=O)OC(F)(C(F)(F)F)C(F)(F)F
InChI Key
JTCVKNUSIGHJRG-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F7O2/c1-2-3(14)15-4(7,5(8,9)10)6(11,12)13/h2H,1H2
Names and Synonyms
- Heptafluoroisopropyl Acrylate Common Name
- 2-Propenoic acid, 1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ester Synonym
- Acrylic acid, 1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ester Synonym
- Acrylic acid, tetrafluoro-1-(trifluoromethyl)ethyl ester Synonym
- 2-Propanol, 1,1,1,2,3,3,3-heptafluoro-, acrylate Synonym
- Heptafluoroisopropyl acrylate Synonym
- 1,1,1,2,3,3,3-Heptafluoropropan-2-yl prop-2-enoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.07 g/mol | CAS Common Chemistry |
| 240.07399999999993 g/mol | RDKit | |
| 240.074 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(F)(C(F)(F)F)C(F)(F)F)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H3F7O2/c1-2-3(14)15-4(7,5(8,9)10)6(11,12)13/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JTCVKNUSIGHJRG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Heptafluoroisopropyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.5060000000000002 | RDKit |
| 2.506 | RDKit | |
| Molar Refractivity | 32.23799999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 240.002126876 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
Convert
Quick conversion
MW = 240.07 g/mol. Edit any field — others recompute live.
