3,4-Diamino-5-(2,2,2-trifluoro-ethoxy)-thiophene-2-carboxylic acid methyl ester

HCID 68617751
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Basic information

Standard SMILES
COC(=O)c1sc(OCC(F)(F)F)c(N)c1N
InChIKey
JBQSVGYLQSRTOO-UHFFFAOYSA-N
Molecular formula
C8H9F3N2O3S
Average molar mass
270.23 g/mol

Names & identifiers

Preferred name
3,4-Diamino-5-(2,2,2-trifluoro-ethoxy)-thiophene-2-carboxylic acid methyl ester
IUPAC
methyl 3,4-diamino-5-(2,2,2-trifluoroethoxy)thiophene-2-carboxylate

Names & synonyms

3,4-diamino-5-(2,2,2-trifluoro-ethoxy)-thiophene-2-carboxylic acid methyl esterSCHEMBL3373923

Database identifiers

PubChem CID
68617751

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
116 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
17

Related reactions

1 records
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Compound notes

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