4-fluorooxolane-3-carboxylic acid

C5H7FO3 — CID 83478822

IUPAC4-fluorooxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1F
InChIInChI=1S/C5H7FO3/c6-4-2-9-1-3(4)5(7)8/h3-4H,1-2H2,(H,7,8)
InChIKeySGMXGNVDKCRUNA-UHFFFAOYSA-N
MW134.11 g/mol
LogP0.06
Rot. Bonds1

About 4-fluorooxolane-3-carboxylic acid

4-fluorooxolane-3-carboxylic acid (PubChem CID 83478822) has the molecular formula C5H7FO3 and a molecular weight of 134.11 g/mol. Its IUPAC name is 4-fluorooxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-fluorooxolane-3-carboxylic acid
PubChem CID83478822
Molecular FormulaC5H7FO3
Molecular Weight134.11 g/mol
Exact Mass134.04
IUPAC Name4-fluorooxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1F
InChIInChI=1S/C5H7FO3/c6-4-2-9-1-3(4)5(7)8/h3-4H,1-2H2,(H,7,8)
InChIKeySGMXGNVDKCRUNA-UHFFFAOYSA-N
XLogP0.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluorooxolane-3-carboxylic acid?
The IUPAC name of 4-fluorooxolane-3-carboxylic acid (CID 83478822) is 4-fluorooxolane-3-carboxylic acid.
What is the SMILES notation for 4-fluorooxolane-3-carboxylic acid?
The canonical SMILES for 4-fluorooxolane-3-carboxylic acid is O=C(O)C1COCC1F.
What is the InChIKey of 4-fluorooxolane-3-carboxylic acid?
The InChIKey is SGMXGNVDKCRUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO3/c6-4-2-9-1-3(4)5(7)8/h3-4H,1-2H2,(H,7,8).
What are the key properties of 4-fluorooxolane-3-carboxylic acid?
4-fluorooxolane-3-carboxylic acid has a molecular weight of 134.11 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorooxolane-3-carboxylic acid is sourced from PubChem (CID 83478822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).