6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-hexanoic Acid Pentafluorophenyl Ester

HCID 59347289

Basic information

Standard SMILES
O=C(CCCCCN1C(=O)c2ccccc2C1=O)Oc1c(F)c(F)c(F)c(F)c1F
InChIKey
BRURHABVELZNNU-UHFFFAOYSA-N
Molecular formula
C20H14F5NO4
Average molar mass
427.3 g/mol

Names & identifiers

Preferred name
6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-hexanoic Acid Pentafluorophenyl Ester
IUPAC
(2,3,4,5,6-pentafluorophenyl) 6-(1,3-dioxoisoindol-2-yl)hexanoate

Names & synonyms

SCHEMBL3425477BRURHABVELZNNU-UHFFFAOYSA-N6-(1,3-Dioxo-1,3-dihydro-isoindo1-2-yl)-hexanoic acid pentafluorophenyl ester6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-hexanoic Acid Pentafluorophenyl Ester

Database identifiers

PubChem CID
59347289

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
63.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
30

Related reactions

10 records

Linked notes

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