(4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one

C9H6F3NO2 — CID 171183886

IUPAC(4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cc(F)c(F)c(F)c2)CO1
InChIInChI=1S/C9H6F3NO2/c10-5-1-4(2-6(11)8(5)12)7-3-15-9(14)13-7/h1-2,7H,3H2,(H,13,14)/t7-/m1/s1
InChIKeyMBBRIVYPAGFYOT-SSDOTTSWSA-N
MW217.15 g/mol
LogP1.88
Rot. Bonds1

About (4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one

(4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 171183886) has the molecular formula C9H6F3NO2 and a molecular weight of 217.15 g/mol. Its IUPAC name is (4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
PubChem CID171183886
Molecular FormulaC9H6F3NO2
Molecular Weight217.15 g/mol
Exact Mass217.04
IUPAC Name(4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cc(F)c(F)c(F)c2)CO1
InChIInChI=1S/C9H6F3NO2/c10-5-1-4(2-6(11)8(5)12)7-3-15-9(14)13-7/h1-2,7H,3H2,(H,13,14)/t7-/m1/s1
InChIKeyMBBRIVYPAGFYOT-SSDOTTSWSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol
CID 143702720
(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184050
(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183858
(4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183884
(4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184055
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 130146009
(4S)-4-(3,5-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183820
(4S)-4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 171183721
(4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184446
(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one
CID 130067450
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one (CID 171183886) is (4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](c2cc(F)c(F)c(F)c2)CO1.
What is the InChIKey of (4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is MBBRIVYPAGFYOT-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H6F3NO2/c10-5-1-4(2-6(11)8(5)12)7-3-15-9(14)13-7/h1-2,7H,3H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one?
(4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 217.15 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 171183886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).