3-(2,5-dimethylphenyl)sulfanyl-4,4,4-tris(fluoranyl)butan-1-amine

Systemtic Name: 3-(2,5-dimethylphenyl)sulfanyl-4,4,4-tris(fluoranyl)butan-1-amine Openeye Name: 3-(2,5-dimethylphenyl)sulfanyl-4,4,4-trifluoro-butan-1-amine CAS Name: 3-[(2,5-dimethylphenyl)thio]-4,4,4-trifluoro-1-butanamine IUPAC Name: 3-(2,5-dimethylphenyl)sulfanyl-4,4,4-trifluorobutan-1-amine Traditional Name: [3-[(2,5-dimethylphenyl)thio]-4,4,4-trifluoro-butyl]amine Formula: C12H16F3NS MolecularWeight: 263.32235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC(CCN)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC(CCN)C(F)(F)F

InChI

InChI=1S/C12H16F3NS/c1-8-3-4-9(2)10(7-8)17-11(5-6-16)12(13,14)15/h3-4,7,11H,5-6,16H2,1-2H3