Mefloquine
C17H16F6N2O
53230-10-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  27 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.3337 5.3901 0.0 0
M  V30 2 F 2.1037 4.0564 0.0 0
M  V30 3 F 0.0000 4.6201 0.0 0
M  V30 4 F 0.5636 6.7237 0.0 0
M  V30 5 C 8.0023 6.1601 0.0 0 CFG=2
M  V30 6 O 8.0023 7.7001 0.0 0
M  V30 7 C 5.3348 1.5400 0.0 0
M  V30 8 F 6.8748 1.5400 0.0 0
M  V30 9 F 5.3348 0.0000 0.0 0
M  V30 10 F 3.7948 1.5400 0.0 0
M  V30 11 C 4.0011 5.3901 0.0 0
M  V30 12 C 5.3348 6.1601 0.0 0
M  V30 13 C 2.6675 6.1601 0.0 0
M  V30 14 N 4.0011 3.8501 0.0 0
M  V30 15 C 6.6685 5.3901 0.0 0
M  V30 16 C 5.3348 7.7001 0.0 0
M  V30 17 C 2.6675 7.7001 0.0 0
M  V30 18 C 5.3348 3.0800 0.0 0
M  V30 19 C 6.6685 3.8501 0.0 0
M  V30 20 C 4.0011 8.4701 0.0 0
M  V30 21 C 9.3359 5.3901 0.0 0 CFG=2
M  V30 22 C 9.8626 6.8372 0.0 0
M  V30 23 N 10.3259 4.2104 0.0 0
M  V30 24 C 11.3792 7.1046 0.0 0
M  V30 25 C 11.8425 4.4778 0.0 0
M  V30 26 C 12.3692 5.9249 0.0 0
M  V30 27 H 8.3460 4.2104 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 4
M  V30 4 1 1 13
M  V30 5 1 5 6 CFG=3
M  V30 6 1 5 15
M  V30 7 1 5 21
M  V30 8 1 7 8
M  V30 9 1 7 9
M  V30 10 1 7 10
M  V30 11 1 7 18
M  V30 12 2 11 12
M  V30 13 1 11 13
M  V30 14 1 11 14
M  V30 15 1 12 15
M  V30 16 1 12 16
M  V30 17 2 13 17
M  V30 18 2 14 18
M  V30 19 2 15 19
M  V30 20 2 16 20
M  V30 21 1 17 20
M  V30 22 1 18 19
M  V30 23 1 21 22
M  V30 24 1 21 23
M  V30 25 1 21 27 CFG=3
M  V30 26 1 22 24
M  V30 27 1 23 25
M  V30 28 1 24 26
M  V30 29 1 25 26
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEREL1 ATOMS=(2 5 21)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
53230-10-7

> <cas.index.name>
4-Quinolinemethanol, α-(2R)-2-piperidinyl-2,8-bis(trifluoromethyl)-, (αS)-rel-

> <molecular.formula>
C17H16F6N2O

> <molecular.weight>
378.31

> <boiling.point.predicted>
415.7±40.0 °C    Press: 760 Torr

> <density.predicted>
1.383±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.81±0.20    Most Acidic Temp: 25 °C

$$$$
