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Molecule
3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-1,9-Decadiene
CAS: 1800-91-5 · C10H6F12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1800-91-5
- Molecular Formula
- C10H6F12
- Molecular Mass
- 354.13 g/mol
Identifiers
CAS Registry Number
1800-91-5
SMILES
C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C
InChI Key
PDFSXHZXNZCKNF-UHFFFAOYSA-N
InChI
InChI=1S/C10H6F12/c1-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h3-4H,1-2H2
Names and Synonyms
- 3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-1,9-Decadiene Synonym
- 1,9-Decadiene, 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro- Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-1,9-decadiene Synonym
- 1,6-Divinylperfluorohexane Synonym
- C 6DV Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 354.13 g/mol | CAS Common Chemistry |
| 354.134 g/mol | RDKit | |
| Canonical SMILES | FC(F)(C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C10H6F12/c1-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h3-4H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PDFSXHZXNZCKNF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-1,9-decadiene | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.170200000000001 | RDKit |
| 5.1702 | RDKit | |
| Molar Refractivity | 50.076000000000015 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 354.027788832 g/mol | RDKit |
| Boiling Point | 135-137 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 354.13 g/mol. Edit any field — others recompute live.
