5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione

C9H5ClFNO3 — CID 13092017

IUPAC5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2c(F)cccc2Cl)O1
InChIInChI=1S/C9H5ClFNO3/c10-4-2-1-3-5(11)6(4)7-8(13)12-9(14)15-7/h1-3,7H,(H,12,13,14)
InChIKeyMGXCYBJZYSTREA-UHFFFAOYSA-N
MW229.59 g/mol
LogP1.79
Rot. Bonds1

About 5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione

5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione (PubChem CID 13092017) has the molecular formula C9H5ClFNO3 and a molecular weight of 229.59 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione
PubChem CID13092017
Molecular FormulaC9H5ClFNO3
Molecular Weight229.59 g/mol
Exact Mass228.99
IUPAC Name5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2c(F)cccc2Cl)O1
InChIInChI=1S/C9H5ClFNO3/c10-4-2-1-3-5(11)6(4)7-8(13)12-9(14)15-7/h1-3,7H,(H,12,13,14)
InChIKeyMGXCYBJZYSTREA-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.59
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione (CID 13092017) is 5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione is O=C1NC(=O)C(c2c(F)cccc2Cl)O1.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is MGXCYBJZYSTREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO3/c10-4-2-1-3-5(11)6(4)7-8(13)12-9(14)15-7/h1-3,7H,(H,12,13,14).
What are the key properties of 5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione?
5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 229.59 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 13092017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).