| Canonical Smiles | C1=CC(=CC(=C1)N)CCC(F)(F)F |
|---|---|
| IUPAC Name | 3-(3,3,3-trifluoropropyl)aniline |
| InChIKey | HKHLJRXNGQAQMB-UHFFFAOYSA-N |
| INCHI | 1S/C9H10F3N/c10-9(11,12)5-4-7-2-1-3-8(13)6-7/h1-3,6H,4-5,13H2 |
| Molecular Weight | 189.180 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aniline and substituted anilines |
| Alternative Parents | Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aniline or substituted anilines - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. |
| External Descriptors | Not available |
| Molecular Weight | 189.180 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 189.077 Da |
| Monoisotopic Mass | 189.077 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 155.000 |
| 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 |
