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Molecule
1,1,2,3,3,4,4,5,5,6,6,7,7,7-Tetradecafluoro-1-Heptene
CAS: 355-63-5 · C7F14
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 355-63-5
- Molecular Formula
- C7F14
- Molecular Mass
- 350.05 g/mol
Identifiers
CAS Registry Number
355-63-5
SMILES
FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
CDAVUOSPHHTNBU-UHFFFAOYSA-N
InChI
InChI=1S/C7F14/c8-1(2(9)10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21
Names and Synonyms
- 1,1,2,3,3,4,4,5,5,6,6,7,7,7-Tetradecafluoro-1-Heptene Synonym
- 1-Heptene, 1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoro- Synonym
- 1-Heptene, tetradecafluoro- Synonym
- 1,1,2,3,3,4,4,5,5,6,6,7,7,7-Tetradecafluoro-1-heptene Synonym
- Tetradecafluoro-1-heptene Synonym
- Perfluoro-1-heptene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 350.05 g/mol | CAS Common Chemistry |
| 350.0489999999999 g/mol | RDKit | |
| 350.049 g/mol | RDKit | |
| Boiling Point | 81 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C7F14/c8-1(2(9)10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21 | CAS Common Chemistry |
| InChI Key | InChIKey=CDAVUOSPHHTNBU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,2,3,3,4,4,5,5,6,6,7,7,7-Tetradecafluoro-1-heptene | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.167500000000001 | RDKit |
| 5.1675 | RDKit | |
| Molar Refractivity | 36.193 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 349.97764508 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 = 350.05 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7F14.
