(4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C10H6ClF4NO2 — CID 171184015

IUPAC(4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cc(C(F)(F)F)cc(Cl)c2F)CO1
InChIInChI=1S/C10H6ClF4NO2/c11-6-2-4(10(13,14)15)1-5(8(6)12)7-3-18-9(17)16-7/h1-2,7H,3H2,(H,16,17)/t7-/m1/s1
InChIKeyJPMINYJREFJQLA-SSDOTTSWSA-N
MW283.61 g/mol
LogP3.28
Rot. Bonds1

About (4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

(4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 171184015) has the molecular formula C10H6ClF4NO2 and a molecular weight of 283.61 g/mol. Its IUPAC name is (4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID171184015
Molecular FormulaC10H6ClF4NO2
Molecular Weight283.61 g/mol
Exact Mass283.00
IUPAC Name(4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cc(C(F)(F)F)cc(Cl)c2F)CO1
InChIInChI=1S/C10H6ClF4NO2/c11-6-2-4(10(13,14)15)1-5(8(6)12)7-3-18-9(17)16-7/h1-2,7H,3H2,(H,16,17)/t7-/m1/s1
InChIKeyJPMINYJREFJQLA-SSDOTTSWSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.61
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 171184015) is (4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1N[C@@H](c2cc(C(F)(F)F)cc(Cl)c2F)CO1.
What is the InChIKey of (4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is JPMINYJREFJQLA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H6ClF4NO2/c11-6-2-4(10(13,14)15)1-5(8(6)12)7-3-18-9(17)16-7/h1-2,7H,3H2,(H,16,17)/t7-/m1/s1.
What are the key properties of (4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 283.61 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171184015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).