1-fluoranyl-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)oct-4-yn-3-ol

Systemtic Name: 1-fluoranyl-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)oct-4-yn-3-ol Openeye Name: 1-fluoro-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)oct-4-yn-3-ol CAS Name: 1-fluoro-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-4-octyn-3-ol IUPAC Name: 1-fluoro-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)oct-4-yn-3-ol Traditional Name: 1-fluoro-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)oct-4-yn-3-ol Formula: C13H20FN3O MolecularWeight: 253.315803

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(CN1C=NC=N1)(C(C)(C)CF)O

Isomeric SMILES

CCCC#CC(CN1C=NC=N1)(C(C)(C)CF)O

InChI

InChI=1S/C13H20FN3O/c1-4-5-6-7-13(18,12(2,3)8-14)9-17-11-15-10-16-17/h10-11,18H,4-5,8-9H2,1-3H3