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Molecule
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
Identifiers
CAS Registry Number
313-72-4
SMILES
Fc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F
InChI Key
JDCMOHAFGDQQJX-UHFFFAOYSA-N
InChI
InChI=1S/C10F8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12
Names and Synonyms
- Octafluoronaphthalene Synonym
- Naphthalene, 1,2,3,4,5,6,7,8-octafluoro- Synonym
- Naphthalene, octafluoro- Synonym
- 1,2,3,4,5,6,7,8-Octafluoronaphthalene Synonym
- Perfluoronaphthalene Synonym
- Octafluoronaphthalene Synonym
- DTXSID 60185221 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 272.09 g/mol | CAS Common Chemistry |
| 272.09399999999994 g/mol | RDKit | |
| 272.094 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 |
| 4.18 | chempirical lib | |
| Molar Refractivity | 43.611999999999995 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 271.98722576 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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 = 272.09 g/mol; density = 2.070 g/mL. Edit any field — others recompute live.
