2-Fluoroapomorphine
Basic information
- CAS
119771-41-4- Standard SMILES
CN1CCc2cc(F)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3- InChIKey
YBEUIAYJOLGULC-CYBMUJFWSA-N- Molecular formula
- C17H16FNO2
- Average molar mass
- 285.31 g/mol
- Monoisotopic mass
- 285.11650692
Overview
RN & structure given in first source; RN given refers to parent cpd
Names & identifiers
- Preferred name
- 2-Fluoroapomorphine
- IUPAC
- (6aR)-2-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
- English name
- 2-fluoroapomorphine
- Molecular formula
- C17H16FNO2
- Molecular weight
- 285.3128432
Names & synonyms
2-Fluoroapomorphine119771-41-4RefChem:87142CHEMBL185982-Fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diolDTXSID70923111BDBM50016786(6aR)-2-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol(R)-2-Fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol4H-Dibenzo(de,g)quinoline-10,11-diol, 2-fluoro-5,6,6a,7-tetrahydro-6-methyl-, (R)-
Database identifiers
- CAS
119771-41-4- PubChem CID
- 128965
- DTXSID
DTXSID70923111- ChEMBL
CHEMBL18598- Nikkaji
- J322.348E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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