(αR)-α-[[(1,1-Dimethylethyl)amino]methyl]-5-fluoro-3-pyridinemethanol
C11H17FN2O
2301983-88-8 Copyright (C) 2025 ACS
 15 15  0  0  1  0  0  0  0  0999 V2000
    5.3348    1.5400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6685    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5660    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1060    0.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5400    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <cas.rn>
2301983-88-8

> <ca.index.name>
3-Pyridinemethanol, α-[[(1,1-dimethylethyl)amino]methyl]-5-fluoro-, (αR)-

> <molecular.formula>
C11H17FN2O

> <smiles.canonical>
FC1=CN=CC(=C1)C(O)CNC(C)(C)C

> <smiles.isomeric>
[C@@H](CNC(C)(C)C)(O)C=1C=C(F)C=NC1

> <molecular.weight>
212.26

> <boiling.point.predicted>
330.188±37.00 °C    Press: 760.00 Torr

> <density.predicted>
1.101±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.923±0.20    Most Acidic Temp: 25 °C

$$$$
