CAS Registry Number®
700863-48-5
CAS Name
rel-(2R,5S)-2-[4′-[Difluoro(3,4,5-trifluorophenoxy)methyl]-3′,5′-difluoro[1,1′-biphenyl]-4-yl]tetrahydro-5-propyl-2H-pyran
Molecular Formula
C27H23F7O2
Molecular Mass
512.46
Compound Properties
-
Melting Point (1)
75 °C
Source(s)
- (1) Poetsch, Eike; EP1482019, A1, 2004, CAplus
Other Names and Identifiers
InChI
InChI=1/C27H23F7O2/c1-2-3-15-4-9-24(35-14-15)17-7-5-16(6-8-17)18-10-20(28)25(21(29)11-18)27(33,34)36-19-12-22(30)26(32)23(31)13-19/h5-8,10-13,15,24H,2-4,9,14H2,1H3/t15-,24+/s2
InChIKey
InChIKey=FPBFSPUIZMRERG-MJUGSEIKNA-N
SMILES
FC=1C=C(C=C(F)C1C(OC2=CC(F)=C(F)C(F)=C2)(F)F)C3=CC=C(C=C3)[C@@H]4CC[C@@H](CCC)CO4
Canonical SMILES
FC=1C=C(OC(F)(F)C=2C(F)=CC(=CC2F)C3=CC=C(C=C3)C4OCC(CCC)CC4)C=C(F)C1F
Other Names for this Substance
- 2H-Pyran, 2-[4′-[difluoro(3,4,5-trifluorophenoxy)methyl]-3′,5′-difluoro[1,1′-biphenyl]-4-yl]tetrahydro-5-propyl-, (2R,5S)-rel–
- rel-(2R,5S)-2-[4′-[Difluoro(3,4,5-trifluorophenoxy)methyl]-3′,5′-difluoro[1,1′-biphenyl]-4-yl]tetrahydro-5-propyl-2H-pyran
- APUQU 3F
- 3-DhBB(F,F)-XB(F,F)-F
- 3-Py-Ph-Ph3-CFFO-Ph3-F
Deleted or Replaced CAS Registry Numbers
1309388-15-5, 1623130-25-5, 2045401-95-2, 2088022-71-1, 2759277-95-5, 3017317-01-7
