methyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate

C13H11FO4 — CID 89464695

IUPACmethyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate
SMILESCOC(=O)C12CC(=O)OC1c1c(F)cccc1C2
InChIInChI=1S/C13H11FO4/c1-17-12(16)13-5-7-3-2-4-8(14)10(7)11(13)18-9(15)6-13/h2-4,11H,5-6H2,1H3
InChIKeyPYZJKWOYQVCKKY-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.53
Rot. Bonds1

About methyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate

methyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate (PubChem CID 89464695) has the molecular formula C13H11FO4 and a molecular weight of 250.22 g/mol. Its IUPAC name is methyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate.

Molecular Properties

Compound Namemethyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate
PubChem CID89464695
Molecular FormulaC13H11FO4
Molecular Weight250.22 g/mol
Exact Mass250.06
IUPAC Namemethyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate
SMILESCOC(=O)C12CC(=O)OC1c1c(F)cccc1C2
InChIInChI=1S/C13H11FO4/c1-17-12(16)13-5-7-3-2-4-8(14)10(7)11(13)18-9(15)6-13/h2-4,11H,5-6H2,1H3
InChIKeyPYZJKWOYQVCKKY-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate?
The IUPAC name of methyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate (CID 89464695) is methyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate.
What is the SMILES notation for methyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate?
The canonical SMILES for methyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate is COC(=O)C12CC(=O)OC1c1c(F)cccc1C2.
What is the InChIKey of methyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate?
The InChIKey is PYZJKWOYQVCKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO4/c1-17-12(16)13-5-7-3-2-4-8(14)10(7)11(13)18-9(15)6-13/h2-4,11H,5-6H2,1H3.
What are the key properties of methyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate?
methyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate has a molecular weight of 250.22 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-fluoro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate is sourced from PubChem (CID 89464695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).