528588-18-3
3-OXABICYCLO[3.1.0]HEXAN-2-ONE, 4-ETHYL-1-(3-FLUOROPHENYL)-, (1S,4S,5R)-
Name3-OXABICYCLO[3.1.0]HEXAN-2-ONE, 4-ETHYL-1-(3-FLUOROPHENYL)-, (1S,4S,5R)-
1Identification
【Name】
3-OXABICYCLO[3.1.0]HEXAN-2-ONE, 4-ETHYL-1-(3-FLUOROPHENYL)-, (1S,4S,5R)-
【CAS】
【MDL】
MFCD18835956
【English Synonyms】
【Formula】
C13 H13 F O2
【MolWeight】
220.242
【Inchi】
InChI=1S/C13H13FO2/c1-2-11-10-7-13(10,12(15)16-11)8-4-3-5-9(14)6-8/h3-6,10-11H,2,7H2,1H3/t10-,11-,13+/m0/s1
【InChIKey】
InChIKey=WPXCQLBTPXRDBN-GMXVVIOVSA-N
【SMILES】
CC[C@H]1[C@@H]2C[C@@]2(C(=O)O1)c3cccc(c3)F
【MOL File】
3-OXABICYCLO[3.1.0]H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-OXABICYCLO[3.1.0]HEXAN-2-ONE, 4-ETHYL-1-(3-FLUOROPHENYL)-, (1S,4S,5R)-.cml