1-[4-(2-Fluorophenyl)piperazino]-3-{[3-(trifluoromethyl)phenyl]sulfanyl}-2-propanol
Completing data — refresh the page later to see the latest
Basic information
- CAS
338421-97-9- Standard SMILES
OC(CSc1cccc(C(F)(F)F)c1)CN1CCN(c2ccccc2F)CC1- InChIKey
XTUVYMZKCHTYMP-UHFFFAOYSA-N- Molecular formula
- C20H22F4N2OS
- Average molar mass
- 414.5 g/mol
Names & identifiers
- Preferred name
- 1-[4-(2-Fluorophenyl)piperazino]-3-{[3-(trifluoromethyl)phenyl]sulfanyl}-2-propanol
- IUPAC
- 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-ol
- English name
- 1-[4-(2-Fluorophenyl)piperazino]-3-([3-(trifluoromethyl)phenyl]sulfanyl)-2-propanol
- Molecular formula
- C20H22F4N2OS
- Molecular weight
- 414.46
Names & synonyms
338421-97-91-[4-(2-fluorophenyl)piperazino]-3-{[3-(trifluoromethyl)phenyl]sulfanyl}-2-propanol1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-ol1-[4-(2-fluorophenyl)piperazin-1-yl]-3-{[3-(trifluoromethyl)phenyl]sulfanyl}propan-2-olAKOS0050898304H-475S1-[4-(2-Fluorophenyl)piperazino]-3-([3-(trifluoromethyl)phenyl]sulfanyl)-2-propanol1-Piperazineethanol, 4-(2-fluorophenyl)-α-[[[3-(trifluoromethyl)phenyl]thio]methyl]-
Database identifiers
- CAS
338421-97-9
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Boiling point
- 507.9 · 507.9±50.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 14.16 · 14.16±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…