4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid

C12H10FNO6 — CID 107014254

IUPAC4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(F)cc1OCC(=O)N1CCOC1=O
InChIInChI=1S/C12H10FNO6/c13-7-1-2-8(11(16)17)9(5-7)20-6-10(15)14-3-4-19-12(14)18/h1-2,5H,3-4,6H2,(H,16,17)
InChIKeySAYSIQFKAMOFRQ-UHFFFAOYSA-N
MW283.21 g/mol
LogP0.88
Rot. Bonds4

About 4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid

4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid (PubChem CID 107014254) has the molecular formula C12H10FNO6 and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid
PubChem CID107014254
Molecular FormulaC12H10FNO6
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(F)cc1OCC(=O)N1CCOC1=O
InChIInChI=1S/C12H10FNO6/c13-7-1-2-8(11(16)17)9(5-7)20-6-10(15)14-3-4-19-12(14)18/h1-2,5H,3-4,6H2,(H,16,17)
InChIKeySAYSIQFKAMOFRQ-UHFFFAOYSA-N
XLogP0.88
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(azetidin-1-yl)-2-oxoethoxy]-4-fluorobenzoic acid
CID 107014541
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate
CID 8987566
4-fluoro-2-(fluoromethoxy)benzoic acid
CID 175294892
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methoxyphenoxy)ethanone
CID 110639329
4-fluoro-2-(3-phenylpropoxy)benzoic acid
CID 107014329
3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one
CID 8880784
3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(3-fluorophenoxy)ethanone
CID 110714309
2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid
CID 43532506
4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107014520
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate
CID 8649073
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-bromo-2-chlorophenoxy)acetate
CID 8943058

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid?
The IUPAC name of 4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid (CID 107014254) is 4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid?
The canonical SMILES for 4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid is O=C(O)c1ccc(F)cc1OCC(=O)N1CCOC1=O.
What is the InChIKey of 4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid?
The InChIKey is SAYSIQFKAMOFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO6/c13-7-1-2-8(11(16)17)9(5-7)20-6-10(15)14-3-4-19-12(14)18/h1-2,5H,3-4,6H2,(H,16,17).
What are the key properties of 4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid?
4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid has a molecular weight of 283.21 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid is sourced from PubChem (CID 107014254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).