perfluorophenyl 4-(2-cyano-4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonate

HCID 89762001
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Basic information

Standard SMILES
N#Cc1cc(C(F)(F)F)ccc1N1CCOc2cc(S(=O)(=O)Oc3c(F)c(F)c(F)c(F)c3F)ccc21
InChIKey
ZRHFPGQTXKBJSZ-UHFFFAOYSA-N
Molecular formula
C22H10F8N2O4S
Average molar mass
550.4 g/mol

Names & identifiers

Preferred name
perfluorophenyl 4-(2-cyano-4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonate
IUPAC
(2,3,4,5,6-pentafluorophenyl) 4-[2-cyano-4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-7-sulfonate

Names & synonyms

perfluorophenyl 4-(2-cyano-4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-sulfonateSCHEMBL15202436

Database identifiers

PubChem CID
89762001

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
88 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
14
Rotatable bonds
4
Heavy atoms
37

Related reactions

5 records
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Compound notes

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