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Molecule
Decafluorobiphenyl
CAS: 434-90-2 · C12F10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 434-90-2
- Molecular Formula
- C12F10
- Molecular Mass
- 334.11 g/mol
Identifiers
CAS Registry Number
434-90-2
SMILES
Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChI Key
ONUFSRWQCKNVSL-UHFFFAOYSA-N
InChI
InChI=1S/C12F10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
Names and Synonyms
- Decafluorobiphenyl Synonym
- 1,1′-Biphenyl, 2,2′,3,3′,4,4′,5,5′,6,6′-decafluoro- Synonym
- Biphenyl, decafluoro- Synonym
- 2,2′,3,3′,4,4′,5,5′,6,6′-Decafluoro-1,1′-biphenyl Synonym
- Perfluorobiphenyl Synonym
- Decafluorobiphenyl Synonym
- 2,2′,3,3′,4,4′,5,5′,6,6′-Decafluorobiphenyl Synonym
- Decafluorodiphenyl Synonym
- NSC 97070 Synonym
- 1,2,3,4,5-Pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 334.11 g/mol | CAS Common Chemistry |
| 334.11199999999997 g/mol | RDKit | |
| 334.112 g/mol | RDKit | |
| Boiling Point | 206 °C | CAS Common Chemistry |
| Canonical SMILES | FC=1C(F)=C(F)C(=C(F)C1F)C=2C(F)=C(F)C(F)=C(F)C2F | CAS Common Chemistry |
| InChI | InChI=1S/C12F10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16 | CAS Common Chemistry |
| InChI Key | InChIKey=ONUFSRWQCKNVSL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 67.5 °C | CAS Common Chemistry |
| Name | Decafluorobiphenyl | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.7446 | RDKit |
| 5.18 | chempirical lib | |
| Molar Refractivity | 51.457999999999984 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 333.9840322 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 334.11 g/mol. Edit any field — others recompute live.
