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Molecule
1,1′-[2,2,2-Trifluoro-1-(Trifluoromethyl)Ethylidene]Bis[3,4-Dimethylbenzene]
CAS: 65294-20-4 · C19H18F6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 65294-20-4
- Molecular Formula
- C19H18F6
- Molecular Mass
- 360.34 g/mol
Identifiers
CAS Registry Number
65294-20-4
SMILES
Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C
InChI Key
GLFKFHJEFMLTOB-UHFFFAOYSA-N
InChI
InChI=1S/C19H18F6/c1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
Names and Synonyms
- 1,1′-[2,2,2-Trifluoro-1-(Trifluoromethyl)Ethylidene]Bis[3,4-Dimethylbenzene] Synonym
- Benzene, 1,1′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethyl- Synonym
- 1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene] Synonym
- 2,2-Bis(3,4-dimethylphenyl)hexafluoropropane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 360.34 g/mol | CAS Common Chemistry |
| 360.341 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C(C1=CC=C(C(=C1)C)C)(C2=CC=C(C(=C2)C)C)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C19H18F6/c1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GLFKFHJEFMLTOB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene] | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.330980000000004 | RDKit |
| 6.331 | RDKit | |
| 6.76 | chempirical lib | |
| Molar Refractivity | 84.72200000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3684 | RDKit |
| 0.37 | chempirical lib | |
| Exact Mass | 360.131269896 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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.
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MW = 360.34 g/mol. Edit any field — others recompute live.
