Basic information
- CAS
160401-53-6- Standard SMILES
N[C@@](Cc1ccc(O)c(O)c1)(C(=O)O)C(F)F- InChIKey
XZVHHLNLLVICFA-SNVBAGLBSA-N- Molecular formula
- C10H11F2NO4
- Average molar mass
- 247.19 g/mol
- Monoisotopic mass
- 247.06561416
Overview
inhibitor of L-amino acid decarboxylase; RN given refers to (alpha)-isomer
Names & identifiers
- Preferred name
- Alpha-Difluoromethyl-DOPA
- IUPAC
- (2S)-2-amino-2-[(3,4-dihydroxyphenyl)methyl]-3,3-difluoropropanoic acid
Names & synonyms
alpha-Difluoromethyl-dopaDfm-dopaalpha-Difluoromethyl-3,4-dihydroxyphenylalanineDTXSID70220233RefChem:111218DTXCID70142724MDL-7180169955-03-9UNII-4FX102BRL64FX102BRL6alpha-(Difluoromethyl)-3-hydroxy-L-tyrosine160401-53-6
Show more names
L-Tyrosine, alpha-(difluoromethyl)-3-hydroxy-Mdl 71,801DFMDalpha-(Difluoromethyl)-3-hydroxytyrosineDIFLUOROMETHYLDOPA(2S)-2-amino-2-[(3,4-dihydroxyphenyl)methyl]-3,3-difluoropropanoic acidSCHEMBL11574844XZVHHLNLLVICFA-SNVBAGLBSA-N
Database identifiers
- CAS
160401-53-6、69955-03-9- PubChem CID
- 129677
- DTXSID
DTXSID70220233- UNII
- 4FX102BRL6
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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