1619264-51-5
4-(2-(2,2,2-Trifluoro-1-hydroxyethyl)pyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Name4-(2-(2,2,2-Trifluoro-1-hydroxyethyl)pyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
1Identification
【Name】
4-(2-(2,2,2-Trifluoro-1-hydroxyethyl)pyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
【CAS】
【MDL】
【English Synonyms】
【Formula】
C14H12F6N2O
【MolWeight】
338.2483
【Inchi】
InChI=1S/C14H12F6N2O/c15-13(16,17)10-6-9(4-3-8(10)7-21)22-5-1-2-11(22)12(23)14(18,19)20/h3-4,6,11-12,23H,1-2,5H2
【InChIKey】
InChIKey=OPSIVAKKLQRWKC-UHFFFAOYSA-N
【SMILES】
FC(C(O)C1N(CCC1)C1=CC(=C(C#N)C=C1)C(F)(F)F)(F)F
【MOL File】
4-(2-(2,2,2-Trifluor….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(2,2,2-Trifluoro-1-hydroxyethyl)pyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile.cml