3,5-dichloro-N-trifluoroacetyl-L-tyrosine methyl ester

HCID 15023950
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Basic information

Standard SMILES
COC(=O)[C@H](Cc1cc(Cl)c(O)c(Cl)c1)NC(=O)C(F)(F)F
InChIKey
HWJQRVHVHWWAHD-QMMMGPOBSA-N
Molecular formula
C12H10Cl2F3NO4
Average molar mass
360.11 g/mol

Names & identifiers

Preferred name
3,5-dichloro-N-trifluoroacetyl-L-tyrosine methyl ester
IUPAC
methyl (2S)-3-(3,5-dichloro-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate

Names & synonyms

3,5-dichloro-N-trifluoroacetyl-L-tyrosine methyl esterSCHEMBL5125017

Database identifiers

PubChem CID
15023950

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
75.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
22

Related reactions

3 records
New reaction record

Compound notes

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