6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid

C14H13FO4 — CID 67871209

IUPAC6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid
SMILESO=C(O)C1CCC2(CCOc3ccc(F)cc32)C1=O
InChIInChI=1S/C14H13FO4/c15-8-1-2-11-10(7-8)14(5-6-19-11)4-3-9(12(14)16)13(17)18/h1-2,7,9H,3-6H2,(H,17,18)
InChIKeyYZPNEFSQWOFFPO-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.91
Rot. Bonds1

About 6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid

6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid (PubChem CID 67871209) has the molecular formula C14H13FO4 and a molecular weight of 264.25 g/mol. Its IUPAC name is 6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid
PubChem CID67871209
Molecular FormulaC14H13FO4
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid
SMILESO=C(O)C1CCC2(CCOc3ccc(F)cc32)C1=O
InChIInChI=1S/C14H13FO4/c15-8-1-2-11-10(7-8)14(5-6-19-11)4-3-9(12(14)16)13(17)18/h1-2,7,9H,3-6H2,(H,17,18)
InChIKeyYZPNEFSQWOFFPO-UHFFFAOYSA-N
XLogP1.91
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid?
The IUPAC name of 6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid (CID 67871209) is 6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid.
What is the SMILES notation for 6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid?
The canonical SMILES for 6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid is O=C(O)C1CCC2(CCOc3ccc(F)cc32)C1=O.
What is the InChIKey of 6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid?
The InChIKey is YZPNEFSQWOFFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO4/c15-8-1-2-11-10(7-8)14(5-6-19-11)4-3-9(12(14)16)13(17)18/h1-2,7,9H,3-6H2,(H,17,18).
What are the key properties of 6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid?
6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid has a molecular weight of 264.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2'-oxospiro[2,3-dihydrochromene-4,3'-cyclopentane]-1'-carboxylic acid is sourced from PubChem (CID 67871209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).