Basic information
- CAS
61338-98-5- Standard SMILES
CC(C)NCC(O)c1ccc(O)c(O)c1F- InChIKey
KEYFTYUBFSDBRW-UHFFFAOYSA-N- Molecular formula
- C11H16FNO3
- Average molar mass
- 229.25 g/mol
- Monoisotopic mass
- 229.11142153
Names & identifiers
- Preferred name
- 3-Fluoro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
- IUPAC
- 3-fluoro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
Names & synonyms
61338-98-53-fluoro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diolCHEMBL1619741,2-Benzenediol, 3-fluoro-4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-2-FluoroisoproterenolSCHEMBL11851290DTXSID40338253KEYFTYUBFSDBRW-UHFFFAOYSA-N3-fluoro-4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diolBDBM50224296Benzeneethanamine, 2-fluoro-.beta.,3,4-trihydroxy-N-isopropyl-Benzeneethanamine, 2-fluoro-beta,3,4-trihydroxy-N-isopropyl-
Show more names
3-Fluoro-4-[1-hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol #
Database identifiers
- CAS
61338-98-5- PubChem CID
- 547892
- DTXSID
DTXSID40338253- ChEMBL
CHEMBL161974- Nikkaji
- J665.867I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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