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Molecule
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl Acrylate
CAS: 2993-85-3 · C10H6F12O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2993-85-3
- Molecular Formula
- C10H6F12O2
- Molecular Mass
- 386.13 g/mol
Identifiers
CAS Registry Number
2993-85-3
SMILES
C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChI Key
QJEJDNMGOWJONG-UHFFFAOYSA-N
InChI
InChI=1S/C10H6F12O2/c1-2-4(23)24-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h2,5H,1,3H2
Names and Synonyms
- 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl Acrylate Synonym
- 2-Propenoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester Synonym
- Acrylic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester Synonym
- 1-Heptanol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-, acrylate Synonym
- 1H,1H,7H-Dodecafluoro-1-heptyl acrylate Synonym
- 1,1,7-Trihydrododecafluoroheptyl acrylate Synonym
- 1,1,7-Trihydroperfluoroheptyl acrylate Synonym
- 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate Synonym
- R 5610 Synonym
- 1H,1H,7H-Perfluoroheptyl acrylate Synonym
- 1H,1H,7H-Dodecafluoroheptyl acrylate Synonym
- 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl prop-2-enoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 386.13 g/mol | CAS Common Chemistry |
| 386.13199999999995 g/mol | RDKit | |
| 386.132 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C10H6F12O2/c1-2-4(23)24-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h2,5H,1,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QJEJDNMGOWJONG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 4.1572000000000005 | RDKit |
| 4.1572 | RDKit | |
| Molar Refractivity | 51.895 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 386.017618072 g/mol | RDKit |
| Boiling Point | 56-58 °C @ 6 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 |
|---|
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 = 386.13 g/mol. Edit any field — others recompute live.
