4,4,4-tris(fluoranyl)-3-(phenylmethylsulfanyl)butan-1-amine

Systemtic Name: 4,4,4-tris(fluoranyl)-3-(phenylmethylsulfanyl)butan-1-amine Openeye Name: 3-benzylsulfanyl-4,4,4-trifluoro-butan-1-amine CAS Name: 4,4,4-trifluoro-3-(phenylmethylthio)-1-butanamine IUPAC Name: 3-benzylsulfanyl-4,4,4-trifluorobutan-1-amine Traditional Name: [3-(benzylthio)-4,4,4-trifluoro-butyl]amine Formula: C11H14F3NS MolecularWeight: 249.29577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(CCN)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC(CCN)C(F)(F)F

InChI

InChI=1S/C11H14F3NS/c12-11(13,14)10(6-7-15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8,15H2