| Sonrisas canónicas | CC(C)C1=C(N(C2=CC=CC=C21)C3=CC(=CC(=C3)F)F)CO |
|---|---|
| IUPAC Name | [1-(3,5-difluorophenyl)-3-propan-2-ylindol-2-yl]methanol |
| InChIKey | DPPNYCACUIUFAY-UHFFFAOYSA-N |
| INCHI | 1S/C18H17F2NO/c1-11(2)18-15-5-3-4-6-16(15)21(17(18)10-22)14-8-12(19)7-13(20)9-14/h3-9,11,22H,10H2,1-2H3 |
| Isómeros SMILES | CC(C)C1=C(N(C2=CC=CC=C21)C3=CC(=CC(=C3)F)F)CO |
| CAS alternativo | 886362-94-3 |
| PubChem CID | 40418713 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | 3-alkylindoles Fluorobenzenes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-phenylpyrrole - 3-alkylindole - Indole - Indole or derivatives - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Aromatic alcohol - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Peso molecular | 301.300 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 301.128 Da |
| Monoisotopic Mass | 301.128 Da |
| Topological Polar Surface Area | 25.200 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 368.000 |
| 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 |
