(R)-2,6-Difluoro-4-difluoromethoxybenzyl 2-methylpiperazine-1-carboxylate fumarate

HCID 21021906
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Basic information

Standard SMILES
C[C@@H]1CNCCN1C(=O)OCc1c(F)cc(OC(F)F)cc1F.O=C(O)/C=C/C(=O)O
InChIKey
GJUMJRCAMNBVAA-XQGNFNNSSA-N
Molecular formula
C18H20F4N2O7
Average molar mass
452.4 g/mol

Names & identifiers

Preferred name
(R)-2,6-Difluoro-4-difluoromethoxybenzyl 2-methylpiperazine-1-carboxylate fumarate
IUPAC
(E)-but-2-enedioic acid;[4-(difluoromethoxy)-2,6-difluorophenyl]methyl (2R)-2-methylpiperazine-1-carboxylate

Names & synonyms

(R)-2,6-Difluoro-4-difluoromethoxybenzyl 2-methylpiperazine-1-carboxylate fumarateSCHEMBL4682337

Database identifiers

PubChem CID
21021906

Properties

Computed structural properties

Topological polar surface area
125 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
12
Rotatable bonds
7
Heavy atoms
31

Related reactions

1 records
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Compound notes

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(R)-2,6-Difluoro-4-difluoromethoxybenzyl 2-methylpiperazine-1-carboxylate fumarate (HCID 21021906)｜Huagongshe