| Canonical Smiles | C1=CC=C(C(=C1)C2=CC=CC=C2C(F)(F)F)C(F)(F)F |
|---|---|
| IUPAC Name | 1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene |
| InChIKey | VBFVFTVNLQCICW-UHFFFAOYSA-N |
| INCHI | 1S/C14H8F6/c15-13(16,17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(18,19)20/h1-8H |
| Isomeric SMILES | C1=CC=C(C(=C1)C2=CC=CC=C2C(F)(F)F)C(F)(F)F |
| PubChem CID | 3013906 |
| Molecular Weight | 290.21 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | Trifluoromethylbenzenes Organofluorides Hydrofluorocarbons Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenyl - Trifluoromethylbenzene - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| External Descriptors | Not available |
| Molecular Weight | 290.200 g/mol |
|---|---|
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 290.053 Da |
| Monoisotopic Mass | 290.053 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 287.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
