5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid

C8H7FO5 — CID 88594146

IUPAC5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c(OCCF)co1
InChIInChI=1S/C8H7FO5/c9-1-2-13-7-4-14-6(8(11)12)3-5(7)10/h3-4H,1-2H2,(H,11,12)
InChIKeyCXBUAYKNOQAUCZ-UHFFFAOYSA-N
MW202.14 g/mol
LogP0.69
Rot. Bonds4

About 5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid

5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid (PubChem CID 88594146) has the molecular formula C8H7FO5 and a molecular weight of 202.14 g/mol. Its IUPAC name is 5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid
PubChem CID88594146
Molecular FormulaC8H7FO5
Molecular Weight202.14 g/mol
Exact Mass202.03
IUPAC Name5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c(OCCF)co1
InChIInChI=1S/C8H7FO5/c9-1-2-13-7-4-14-6(8(11)12)3-5(7)10/h3-4H,1-2H2,(H,11,12)
InChIKeyCXBUAYKNOQAUCZ-UHFFFAOYSA-N
XLogP0.69
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid?
The IUPAC name of 5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid (CID 88594146) is 5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid is O=C(O)c1cc(=O)c(OCCF)co1.
What is the InChIKey of 5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid?
The InChIKey is CXBUAYKNOQAUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO5/c9-1-2-13-7-4-14-6(8(11)12)3-5(7)10/h3-4H,1-2H2,(H,11,12).
What are the key properties of 5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid?
5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid has a molecular weight of 202.14 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethoxy)-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 88594146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).