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Molecule
1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-Octadecafluoro-5-Decene
CAS: 84551-43-9 · C10H2F18
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 84551-43-9
- Molecular Formula
- C10H2F18
- Molecular Mass
- 464.09 g/mol
Identifiers
CAS Registry Number
84551-43-9
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
FSOCDJTVKIHJDC-UHFFFAOYSA-N
InChI
InChI=1S/C10H2F18/c11-3(12,5(15,16)7(19,20)9(23,24)25)1-2-4(13,14)6(17,18)8(21,22)10(26,27)28/h1-2H
Names and Synonyms
- 1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-Octadecafluoro-5-Decene Systematic Name
- 5-Decene, 1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluoro- Synonym
- 1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-Octadecafluoro-5-decene Synonym
- Bis(perfluorobutyl)ethene Synonym
- F 44E Synonym
- Octadecafluoro-5-decene Synonym
- Therox Synonym
- 1,2-Bis(perfluorobutyl)ethylene Synonym
- 1,2-Bis(nonafluorobutyl)ethylene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 464.09 g/mol | CAS Common Chemistry |
| Boiling Point | 150 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C10H2F18/c11-3(12,5(15,16)7(19,20)9(23,24)25)1-2-4(13,14)6(17,18)8(21,22)10(26,27)28/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=FSOCDJTVKIHJDC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-Octadecafluoro-5-decene | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.479000000000003 | RDKit |
| 6.479 | RDKit | |
| Molar Refractivity | 50.93199999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 463.986908024 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| 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 = 464.09 g/mol. Edit any field — others recompute live.
