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Pentafluorostyrene
CAS: 653-34-9 | C8H3F5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
653-34-9
Molecular Formula:
C8H3F5
Molecular Mass:
194.10 g/mol
Names and Synonyms:
Pentafluorostyrene
Benzene, 1-ethenyl-2,3,4,5,6-pentafluoro-
Styrene, 2,3,4,5,6-pentafluoro-
Benzene, ethenylpentafluoro-
1-Ethenyl-2,3,4,5,6-pentafluorobenzene
2,3,4,5,6-Pentafluorostyrene
ar-Pentafluorostyrene
Vinylpentafluorobenzene
(Perfluorophenyl)ethylene
Pentafluoro(vinyl)benzene
Ethenylpentafluorobenzene
(Pentafluorophenyl)ethene
Pentafluorostyrene
NSC 97009
1,2,3,4,5-Pentafluoro-6-vinylbenzene
P 0862
Identifiers:
SMILES:
C=Cc1c(F)c(F)c(F)c(F)c1F
InChI:
InChI=1S/C8H3F5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H,1H2
Key Properties
Boiling Point
140-141 °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 | 194.10 g/mol | CAS Common Chemistry |
| 194.10199999999998 g/mol | RDKit | |
| 194.015491196 g/mol | RDKit | |
| Boiling Point | 140-141 °C | CAS Common Chemistry |
| Canonical SMILES | FC=1C(F)=C(F)C(C=C)=C(F)C1F | CAS Common Chemistry |
| InChI | InChI=1S/C8H3F5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LVJZCPNIJXVIAT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pentafluorostyrene | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.0251 | RDKit |
| Molar Refractivity | 36.32300000000001 | RDKit |
