C18H8F12O2S

3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1λ4-benzoxathiole]

Also Known As: J3.737.490C|3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1|1,1'-Spirobi[3H-2,1-benzoxathiole], 3,3,3',3'-tetrakis(trifluoromethyl)-|3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1lambda4-benzoxathiole]|3,3,3',3'-tetrakis(trifluoromethyl)-1lambda4-1,1'-spirobi[[2,1]benzoxathiole]|3,3,3',3'-Tetrakis(trifluoromethyl)-3H,3'H-1lambda~4~-1,1'-spirobi[[2,1]benzoxathiole]|3,3,3',3'-tetrakis(trifluoromethyl)-3H,3'H-1lambda4-1,1'-spirobi[[2,1]benzoxathiole]|C(F)(F)(F)C1(OS2(OC(c3ccccc23)(C(F)(F)F)C(F)(F)F)c4ccccc14)C(F)(F)F

Molecular Formula	C18H8F12O2S
Molecular Weight	516.0053 g/mol
LogP	7.4
Topological Polar Surface Area	19.5 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	15
Rotatable Bonds	0
Exact Mass	516.0053
Monoisotopic Mass	516.0053
Heavy Atoms	33
Complexity	678.0

Chemical Identifiers

CAS Number	70091-68-8
SMILES	C1=CC=C2C(=C1)C(OS23C4=CC=CC=C4C(O3)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIKey	XYMMUNKFQZJVIG-UHFFFAOYSA-N