875444-10-3
(4R,5S)-5-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-4-METHYL-1,3-OXAZOLIDIN-2-ONE
Name(4R,5S)-5-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-4-METHYL-1,3-OXAZOLIDIN-2-ONE
1Identification
【Name】
(4R,5S)-5-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-4-METHYL-1,3-OXAZOLIDIN-2-ONE
【CAS】
【MDL】
MFCD16294182
【English Synonyms】
【Formula】
C12 H9 F6 N O2
【MolWeight】
313.196
【Inchi】
InChI=1S/C12H9F6NO2/c1-5-9(21-10(20)19-5)6-2-7(11(13,14)15)4-8(3-6)12(16,17)18/h2-5,9H,1H3,(H,19,20)/t5-,9-/m1/s1
【InChIKey】
InChIKey=OHIDCVTXTYVGRO-MLUIRONXSA-N
【SMILES】
C[C@@H]1[C@@H](OC(=O)N1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F
【MOL File】
(4R,5S)-5-[3,5-BIS(T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(4R,5S)-5-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-4-METHYL-1,3-OXAZOLIDIN-2-ONE.cml