| Canonical Smiles | C1=CC(=CC(=C1)OCC(F)F)CBr |
|---|---|
| IUPAC Name | 1-(bromomethyl)-3-(2,2-difluoroethoxy)benzene |
| InChIKey | HWEFIVWMYFGOBQ-UHFFFAOYSA-N |
| INCHI | 1S/C9H9BrF2O/c10-5-7-2-1-3-8(4-7)13-6-9(11)12/h1-4,9H,5-6H2 |
| Molecular Weight | 251.070 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyl halides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl bromides |
| Alternative Parents | Phenoxy compounds Phenol ethers Alkyl aryl ethers Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Benzyl bromide - Phenol ether - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group. |
| External Descriptors | Not available |
| Molecular Weight | 251.070 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 249.98 Da |
| Monoisotopic Mass | 249.98 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 144.000 |
| 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 |
