(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one

C9H7F2NO2 — CID 130067450

IUPAC(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccc(F)cc2F)CO1
InChIInChI=1S/C9H7F2NO2/c10-5-1-2-6(7(11)3-5)8-4-14-9(13)12-8/h1-3,8H,4H2,(H,12,13)/t8-/m1/s1
InChIKeyTTZUKUAVJGTSST-MRVPVSSYSA-N
MW199.16 g/mol
LogP1.75
Rot. Bonds1

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

(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 130067450) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is (4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one
PubChem CID130067450
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2ccc(F)cc2F)CO1
InChIInChI=1S/C9H7F2NO2/c10-5-1-2-6(7(11)3-5)8-4-14-9(13)12-8/h1-3,8H,4H2,(H,12,13)/t8-/m1/s1
InChIKeyTTZUKUAVJGTSST-MRVPVSSYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130147402
(4R)-4-(2-fluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 171184318
(4R)-4-(2-chloro-5-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184397
(4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183884
(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one
CID 171185621
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
(4R)-4-(2-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 131085137
(4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184655
(4R)-4-(2-fluoro-4-hydroxyphenyl)-1,3-oxazinan-2-one
CID 131255263
(4S)-4-(2-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067480
(4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one
CID 130692620
(4R)-4-(2,4-difluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187618

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one (CID 130067450) is (4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](c2ccc(F)cc2F)CO1.
What is the InChIKey of (4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is TTZUKUAVJGTSST-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H7F2NO2/c10-5-1-2-6(7(11)3-5)8-4-14-9(13)12-8/h1-3,8H,4H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one?
(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 199.16 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130067450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).