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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
Loading 3D structure...
Basic Information
CAS Registry Number:
355-63-5
Molecular Formula:
C7F14
Molecular Mass:
350.05 g/mol
Names and Synonyms:
1,1,2,3,3,4,4,5,5,6,6,7,7,7-Tetradecafluoro-1-Heptene
1-Heptene, 1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoro-
1-Heptene, tetradecafluoro-
1,1,2,3,3,4,4,5,5,6,6,7,7,7-Tetradecafluoro-1-heptene
Tetradecafluoro-1-heptene
Perfluoro-1-heptene
Identifiers:
SMILES:
FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
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
Key Properties
Boiling Point
81 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 350.05 g/mol | CAS Common Chemistry |
| 350.0489999999999 g/mol | RDKit | |
| 349.97764508 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 |
| Molar Refractivity | 36.193 | RDKit |
