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Octafluoronaphthalene
CAS: 313-72-4 | C10F8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
313-72-4
Molecular Formula:
C10F8
Molecular Mass:
272.09 g/mol
Names and Synonyms:
Octafluoronaphthalene
Naphthalene, 1,2,3,4,5,6,7,8-octafluoro-
Naphthalene, octafluoro-
1,2,3,4,5,6,7,8-Octafluoronaphthalene
Perfluoronaphthalene
Octafluoronaphthalene
DTXSID 60185221
Identifiers:
SMILES:
Fc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChI:
InChI=1S/C10F8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12
Key Properties
Boiling Point
209 °C
CAS Common Chemistry
Melting Point
87.5 °C
CAS Common Chemistry
Density
2.07 g/cm³
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 | 272.09 g/mol | CAS Common Chemistry |
| 272.09399999999994 g/mol | RDKit | |
| 271.98722576 g/mol | RDKit | |
| Density | 2.07 g/cm³ | CAS Common Chemistry |
| 2.07 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 209 °C | CAS Common Chemistry |
| Canonical SMILES | FC=1C(F)=C(F)C=2C(F)=C(F)C(F)=C(F)C2C1F | CAS Common Chemistry |
| InChI | InChI=1S/C10F8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12 | CAS Common Chemistry |
| InChI Key | InChIKey=JDCMOHAFGDQQJX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 87.5 °C | CAS Common Chemistry |
| Name | Octafluoronaphthalene | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.9526 | RDKit |
| Molar Refractivity | 43.611999999999995 | RDKit |
