845866-48-0
4-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE
Name4-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE
1Identification
【Name】
4-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE
【CAS】
【MDL】
MFCD06411653
【English Synonyms】
【Formula】
C7 H7 F3 N2
【MolWeight】
176.14
【Inchi】
InChI=1S/C7H7F3N2/c8-7(9,10)6-1-2-12-4-5(6)3-11/h4,6,12H,1-2H2
【InChIKey】
InChIKey=ITPHFEKXAAEMQS-UHFFFAOYSA-N
【SMILES】
C1CNC=C(C1C(F)(F)F)C#N
【MOL File】
4-(TRIFLUOROMETHYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE.cml