2,2,2-tris(fluoranyl)ethyl 4-fluoranylbenzoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-fluoranylbenzoate Openeye Name: 2,2,2-trifluoroethyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid 2,2,2-trifluoroethyl ester Formula: C9H6F4O2 MolecularWeight: 222.136353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(F)(F)F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(F)(F)F)F

InChI

InChI=1S/C9H6F4O2/c10-7-3-1-6(2-4-7)8(14)15-5-9(11,12)13/h1-4H,5H2