2,2-bis(fluoranyl)-5-methoxy-pentanal hydrate

Systemtic Name: 2,2-bis(fluoranyl)-5-methoxy-pentanal hydrate Openeye Name: 2,2-difluoro-5-methoxy-pentanal hydrate CAS Name: 2,2-difluoro-5-methoxypentanal hydrate IUPAC Name: 2,2-difluoro-5-methoxypentanal hydrate Traditional Name: 2,2-difluoro-5-methoxy-valeraldehyde hydrate Formula: C6H12F2O3 MolecularWeight: 170.154486

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC(C=O)(F)F.O

Isomeric SMILES

COCCCC(C=O)(F)F.O

InChI

InChI=1S/C6H10F2O2.H2O/c1-10-4-2-3-6(7,8)5-9;/h5H,2-4H2,1H3;1H2