| Canonical Smiles | C1CN(CCN1)C2=C(C=CC=C2F)F |
|---|---|
| IUPAC Name | 1-(2,6-difluorophenyl)piperazine |
| InChIKey | YWTWDUFMPFRGJQ-UHFFFAOYSA-N |
| INCHI | 1S/C10H12F2N2/c11-8-2-1-3-9(12)10(8)14-6-4-13-5-7-14/h1-3,13H,4-7H2 |
| Isomeric SMILES | C1CN(CCN1)C2=C(C=CC=C2F)F |
| PubChem CID | 10932413 |
| Molecular Weight | 198.21 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Dialkylarylamines Aniline and substituted anilines Fluorobenzenes Aryl fluorides Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Secondary aliphatic amine - Azacycle - Secondary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 198.210 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 198.097 Da |
| Monoisotopic Mass | 198.097 Da |
| Topological Polar Surface Area | 15.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 173.000 |
| 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 |
