hexyl 4,4,4-tris(fluoranyl)but-2-ynoate

Systemtic Name: hexyl 4,4,4-tris(fluoranyl)but-2-ynoate Openeye Name: hexyl 4,4,4-trifluorobut-2-ynoate CAS Name: 4,4,4-trifluoro-2-butynoic acid hexyl ester IUPAC Name: hexyl 4,4,4-trifluorobut-2-ynoate Traditional Name: 4,4,4-trifluorobut-2-ynoic acid hexyl ester Formula: C10H13F3O2 MolecularWeight: 222.20423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C#CC(F)(F)F

Isomeric SMILES

CCCCCCOC(=O)C#CC(F)(F)F

InChI

InChI=1S/C10H13F3O2/c1-2-3-4-5-8-15-9(14)6-7-10(11,12)13/h2-5,8H2,1H3