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Molecule
Heptadecafluoro-1-Decene
CAS: 21652-58-4 · C10H3F17
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 21652-58-4
- Molecular Formula
- C10H3F17
- Molecular Mass
- 446.10 g/mol
Identifiers
CAS Registry Number
21652-58-4
SMILES
C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
NKAMGQZDVMQEJL-UHFFFAOYSA-N
InChI
InChI=1S/C10H3F17/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2
Names and Synonyms
- Heptadecafluoro-1-Decene Synonym
- 1-Decene, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro- Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-decene Synonym
- 1,1,2-Trihydroperfluoro-1-decene Synonym
- (Perfluorooctyl)ethylene Synonym
- 1H,1H,2H-Perfluorodecene Synonym
- (Perfluorooctyl)ethene Synonym
- 1H,1H,2H-Heptadecafluoro-1-decene Synonym
- 1H,1H,2H-Perfluoro-1-decene Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecene Synonym
- F 1820 Synonym
- Heptadecafluoro-1-decene Synonym
- Cheminox PFOE Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,1 0-Heptadecafluoro-1-decene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 446.10 g/mol | CAS Common Chemistry |
| 446.09999999999997 g/mol | RDKit | |
| 446.1 g/mol | RDKit | |
| Boiling Point | 150 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(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/C10H3F17/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NKAMGQZDVMQEJL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Heptadecafluoro-1-decene | CAS Common Chemistry |
| Heavy Atom Count | 27 | 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 | 6.181800000000003 | RDKit |
| 6.1818 | RDKit | |
| Molar Refractivity | 50.881 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 445.99632983600003 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.
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MW = 446.10 g/mol. Edit any field — others recompute live.
