| Canonical Smiles | CC1=C(C=C(C=C1)F)NC |
|---|---|
| IUPAC Name | 5-fluoro-N,2-dimethylaniline |
| InChIKey | NYLRQKXFBZTRMD-UHFFFAOYSA-N |
| INCHI | 1S/C8H10FN/c1-6-3-4-7(9)5-8(6)10-2/h3-5,10H,1-2H3 |
| Isomeric SMILES | CC1=C(C=C(C=C1)F)NC |
| PubChem CID | 28582941 |
| Molecular Weight | 139.17 |
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 | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminotoluenes |
| Alternative Parents | Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Fluorobenzenes Aryl fluorides Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Secondary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group. |
| External Descriptors | Not available |
| Molecular Weight | 139.170 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 139.08 Da |
| Monoisotopic Mass | 139.08 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 105.000 |
| 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 |
