3-Fluoro-2-formyl-5-(tetrahydro-2H-pyran-2-yloxy)phenyl trifluoromethanesulfonate

HCID 87325596
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1c(F)cc(OC2CCCCO2)cc1OS(=O)(=O)C(F)(F)F
InChIKey
XQZKALUPFAFANS-UHFFFAOYSA-N
Molecular formula
C13H12F4O6S
Average molar mass
372.29 g/mol

Names & identifiers

Preferred name
3-Fluoro-2-formyl-5-(tetrahydro-2H-pyran-2-yloxy)phenyl trifluoromethanesulfonate
IUPAC
[3-fluoro-2-formyl-5-(oxan-2-yloxy)phenyl] trifluoromethanesulfonate

Names & synonyms

3-Fluoro-2-formyl-5-(tetrahydro-2H-pyran-2-yloxy)phenyl trifluoromethanesulfonateSCHEMBL20264733-fluoro-2-formyl-5-(tetrahydro-2H-pyran-2-yloxy)phenyl trifluoro-methane sulfonate

Database identifiers

PubChem CID
87325596

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
87.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
24

Related reactions

1 records
New reaction record

Compound notes

Loading…