135734-59-7
4-[TRANS-4-(TRANS-4-ETHYLCYCLOHEXYL)CYCLOHEXYL]-1-TRIFLUOROMETHOXYBENZENE
Name4-[TRANS-4-(TRANS-4-ETHYLCYCLOHEXYL)CYCLOHEXYL]-1-TRIFLUOROMETHOXYBENZENE
1Identification
【Name】
4-[TRANS-4-(TRANS-4-ETHYLCYCLOHEXYL)CYCLOHEXYL]-1-TRIFLUOROMETHOXYBENZENE
【CAS】
【MDL】
MFCD09842837
【English Synonyms】
【Formula】
C21 H29 F3 O
【MolWeight】
354.453
【Inchi】
InChI=1S/C21H29F3O/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(14-12-19)25-21(22,23)24/h11-18H,2-10H2,1H3/t15-,16-,17-,18-
【InChIKey】
InChIKey=PBIFTROFCZATFC-OPMHRUBESA-N
【SMILES】
CC[C@@H]1CC[C@H](CC1)[C@@H]2CC[C@H](CC2)c3ccc(cc3)OC(F)(F)F
【MOL File】
4-[TRANS-4-(TRANS-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[TRANS-4-(TRANS-4-ETHYLCYCLOHEXYL)CYCLOHEXYL]-1-TRIFLUOROMETHOXYBENZENE.cml