(4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one

C10H8F3NO2S — CID 171184072

IUPAC(4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccccc2SC(F)(F)F)CO1
InChIInChI=1S/C10H8F3NO2S/c11-10(12,13)17-8-4-2-1-3-6(8)7-5-16-9(15)14-7/h1-4,7H,5H2,(H,14,15)/t7-/m1/s1
InChIKeyNXFBFTACDRGWKZ-SSDOTTSWSA-N
MW263.24 g/mol
LogP3.08
Rot. Bonds2

About (4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one

(4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 171184072) has the molecular formula C10H8F3NO2S and a molecular weight of 263.24 g/mol. Its IUPAC name is (4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID171184072
Molecular FormulaC10H8F3NO2S
Molecular Weight263.24 g/mol
Exact Mass263.02
IUPAC Name(4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccccc2SC(F)(F)F)CO1
InChIInChI=1S/C10H8F3NO2S/c11-10(12,13)17-8-4-2-1-3-6(8)7-5-16-9(15)14-7/h1-4,7H,5H2,(H,14,15)/t7-/m1/s1
InChIKeyNXFBFTACDRGWKZ-SSDOTTSWSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 171184181
(4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185965
(4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184655
4-(2-iodophenyl)-1,3-oxazolidin-2-one
CID 130156491
(2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine
CID 131498853
(4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one
CID 130692620
(4R)-4-(2-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 131085137
(4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183708
(4S)-4-(3-chloro-2-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184031
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184393
(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
CID 131017344

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one (CID 171184072) is (4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one is O=C1N[C@@H](c2ccccc2SC(F)(F)F)CO1.
What is the InChIKey of (4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is NXFBFTACDRGWKZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H8F3NO2S/c11-10(12,13)17-8-4-2-1-3-6(8)7-5-16-9(15)14-7/h1-4,7H,5H2,(H,14,15)/t7-/m1/s1.
What are the key properties of (4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one?
(4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 263.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171184072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).