1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid

C7H8FNO4 — CID 54691776

IUPAC1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)N(CCF)C1
InChIInChI=1S/C7H8FNO4/c8-1-2-9-3-4(7(12)13)5(10)6(9)11/h10H,1-3H2,(H,12,13)
InChIKeyBGXABQBJRTXIOP-UHFFFAOYSA-N
MW189.14 g/mol
LogP-0.31
Rot. Bonds3

About 1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid

1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid (PubChem CID 54691776) has the molecular formula C7H8FNO4 and a molecular weight of 189.14 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
PubChem CID54691776
Molecular FormulaC7H8FNO4
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)N(CCF)C1
InChIInChI=1S/C7H8FNO4/c8-1-2-9-3-4(7(12)13)5(10)6(9)11/h10H,1-3H2,(H,12,13)
InChIKeyBGXABQBJRTXIOP-UHFFFAOYSA-N
XLogP-0.31
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid (CID 54691776) is 1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid is O=C(O)C1=C(O)C(=O)N(CCF)C1.
What is the InChIKey of 1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid?
The InChIKey is BGXABQBJRTXIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO4/c8-1-2-9-3-4(7(12)13)5(10)6(9)11/h10H,1-3H2,(H,12,13).
What are the key properties of 1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid?
1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid has a molecular weight of 189.14 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 54691776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).