6,6-bis(fluoranyl)-6-(1-methylpyrazol-4-yl)hexanoic acid

Systemtic Name: 6,6-bis(fluoranyl)-6-(1-methylpyrazol-4-yl)hexanoic acid Openeye Name: 6,6-difluoro-6-(1-methylpyrazol-4-yl)hexanoic acid CAS Name: 6,6-difluoro-6-(1-methyl-4-pyrazolyl)hexanoic acid IUPAC Name: 6,6-difluoro-6-(1-methylpyrazol-4-yl)hexanoic acid Traditional Name: 6,6-difluoro-6-(1-methylpyrazol-4-yl)hexanoic acid Formula: C10H14F2N2O2 MolecularWeight: 232.227166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(CCCCC(=O)O)(F)F

Isomeric SMILES

CN1C=C(C=N1)C(CCCCC(=O)O)(F)F

InChI

InChI=1S/C10H14F2N2O2/c1-14-7-8(6-13-14)10(11,12)5-3-2-4-9(15)16/h6-7H,2-5H2,1H3,(H,15,16)