6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid

C7H6FNO3 — CID 105434647

IUPAC6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid
SMILESO=C(O)c1noc2c1CCC2F
InChIInChI=1S/C7H6FNO3/c8-4-2-1-3-5(7(10)11)9-12-6(3)4/h4H,1-2H2,(H,10,11)
InChIKeyXNWULSSDZXOPSA-UHFFFAOYSA-N
MW171.13 g/mol
LogP1.33
Rot. Bonds1

About 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid

6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid (PubChem CID 105434647) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid
PubChem CID105434647
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid
SMILESO=C(O)c1noc2c1CCC2F
InChIInChI=1S/C7H6FNO3/c8-4-2-1-3-5(7(10)11)9-12-6(3)4/h4H,1-2H2,(H,10,11)
InChIKeyXNWULSSDZXOPSA-UHFFFAOYSA-N
XLogP1.33
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid?
The IUPAC name of 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid (CID 105434647) is 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid?
The canonical SMILES for 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid is O=C(O)c1noc2c1CCC2F.
What is the InChIKey of 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid?
The InChIKey is XNWULSSDZXOPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c8-4-2-1-3-5(7(10)11)9-12-6(3)4/h4H,1-2H2,(H,10,11).
What are the key properties of 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid?
6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid has a molecular weight of 171.13 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid is sourced from PubChem (CID 105434647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).