(R)-1-((S)-morpholin-2-yl)-1-phenyl-2-(2-(trifluoromethylthio)phenyl)ethanol

C19H20F3NO2S — CID 44410237

IUPAC(1R)-1-[(2S)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESC1CO[C@@H](CN1)[C@@](CC2=CC=CC=C2SC(F)(F)F)(C3=CC=CC=C3)O
InChIInChI=1S/C19H20F3NO2S/c20-19(21,22)26-16-9-5-4-6-14(16)12-18(24,15-7-2-1-3-8-15)17-13-23-10-11-25-17/h1-9,17,23-24H,10-13H2/t17-,18+/m0/s1
InChIKeyGPHQCFPKKILZDC-ZWKOTPCHSA-N
MW383.40 g/mol
LogP3.80
Rot. Bonds5

About (R)-1-((S)-morpholin-2-yl)-1-phenyl-2-(2-(trifluoromethylthio)phenyl)ethanol

(R)-1-((S)-morpholin-2-yl)-1-phenyl-2-(2-(trifluoromethylthio)phenyl)ethanol (PubChem CID 44410237) has the molecular formula C19H20F3NO2S and a molecular weight of 383.40 g/mol. Its IUPAC name is (1R)-1-[(2S)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name(R)-1-((S)-morpholin-2-yl)-1-phenyl-2-(2-(trifluoromethylthio)phenyl)ethanol
PubChem CID44410237
Molecular FormulaC19H20F3NO2S
Molecular Weight383.40 g/mol
Exact Mass383.12
IUPAC Name(1R)-1-[(2S)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESC1CO[C@@H](CN1)[C@@](CC2=CC=CC=C2SC(F)(F)F)(C3=CC=CC=C3)O
InChIInChI=1S/C19H20F3NO2S/c20-19(21,22)26-16-9-5-4-6-14(16)12-18(24,15-7-2-1-3-8-15)17-13-23-10-11-25-17/h1-9,17,23-24H,10-13H2/t17-,18+/m0/s1
InChIKeyGPHQCFPKKILZDC-ZWKOTPCHSA-N
XLogP3.80
TPSA66.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity445

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (R)-1-((S)-morpholin-2-yl)-1-phenyl-2-(2-(trifluoromethylthio)phenyl)ethanol?
The IUPAC name of (R)-1-((S)-morpholin-2-yl)-1-phenyl-2-(2-(trifluoromethylthio)phenyl)ethanol (CID 44410237) is (1R)-1-[(2S)-morpholin-2-yl]-1-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for (R)-1-((S)-morpholin-2-yl)-1-phenyl-2-(2-(trifluoromethylthio)phenyl)ethanol?
The canonical SMILES for (R)-1-((S)-morpholin-2-yl)-1-phenyl-2-(2-(trifluoromethylthio)phenyl)ethanol is C1CO[C@@H](CN1)[C@@](CC2=CC=CC=C2SC(F)(F)F)(C3=CC=CC=C3)O.
What is the InChIKey of (R)-1-((S)-morpholin-2-yl)-1-phenyl-2-(2-(trifluoromethylthio)phenyl)ethanol?
The InChIKey is GPHQCFPKKILZDC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H20F3NO2S/c20-19(21,22)26-16-9-5-4-6-14(16)12-18(24,15-7-2-1-3-8-15)17-13-23-10-11-25-17/h1-9,17,23-24H,10-13H2/t17-,18+/m0/s1.
What are the key properties of (R)-1-((S)-morpholin-2-yl)-1-phenyl-2-(2-(trifluoromethylthio)phenyl)ethanol?
(R)-1-((S)-morpholin-2-yl)-1-phenyl-2-(2-(trifluoromethylthio)phenyl)ethanol has a molecular weight of 383.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-1-((S)-morpholin-2-yl)-1-phenyl-2-(2-(trifluoromethylthio)phenyl)ethanol is sourced from PubChem (CID 44410237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).