methyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate

C11H9F2NO4 — CID 20668604

IUPACmethyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
SMILESCOC(=O)C1OC(=O)NC1c1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2NO4/c1-17-10(15)9-8(14-11(16)18-9)5-2-3-6(12)7(13)4-5/h2-4,8-9H,1H3,(H,14,16)
InChIKeyPVRMLQXONDMOTK-UHFFFAOYSA-N
MW257.19 g/mol
LogP1.29
Rot. Bonds2

About methyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate

methyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate (PubChem CID 20668604) has the molecular formula C11H9F2NO4 and a molecular weight of 257.19 g/mol. Its IUPAC name is methyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
PubChem CID20668604
Molecular FormulaC11H9F2NO4
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Namemethyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
SMILESCOC(=O)C1OC(=O)NC1c1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2NO4/c1-17-10(15)9-8(14-11(16)18-9)5-2-3-6(12)7(13)4-5/h2-4,8-9H,1H3,(H,14,16)
InChIKeyPVRMLQXONDMOTK-UHFFFAOYSA-N
XLogP1.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate?
The IUPAC name of methyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate (CID 20668604) is methyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for methyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate is COC(=O)C1OC(=O)NC1c1ccc(F)c(F)c1.
What is the InChIKey of methyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate?
The InChIKey is PVRMLQXONDMOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO4/c1-17-10(15)9-8(14-11(16)18-9)5-2-3-6(12)7(13)4-5/h2-4,8-9H,1H3,(H,14,16).
What are the key properties of methyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate?
methyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate has a molecular weight of 257.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 20668604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).