(2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate

C15H11FO5 — CID 42918528

IUPAC(2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate
SMILESO=C(OC1CCOC1=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H11FO5/c16-10-3-1-9(2-4-10)11-5-6-12(20-11)15(18)21-13-7-8-19-14(13)17/h1-6,13H,7-8H2
InChIKeyXGNBFRKGYGKNFE-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.56
Rot. Bonds3

About (2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate

(2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate (PubChem CID 42918528) has the molecular formula C15H11FO5 and a molecular weight of 290.25 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate
PubChem CID42918528
Molecular FormulaC15H11FO5
Molecular Weight290.25 g/mol
Exact Mass290.06
IUPAC Name(2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate
SMILESO=C(OC1CCOC1=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H11FO5/c16-10-3-1-9(2-4-10)11-5-6-12(20-11)15(18)21-13-7-8-19-14(13)17/h1-6,13H,7-8H2
InChIKeyXGNBFRKGYGKNFE-UHFFFAOYSA-N
XLogP2.56
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate (CID 42918528) is (2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate is O=C(OC1CCOC1=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of (2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate?
The InChIKey is XGNBFRKGYGKNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO5/c16-10-3-1-9(2-4-10)11-5-6-12(20-11)15(18)21-13-7-8-19-14(13)17/h1-6,13H,7-8H2.
What are the key properties of (2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate?
(2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate has a molecular weight of 290.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate is sourced from PubChem (CID 42918528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).