fluoro 4-oxo-2,3-dihydrochromene-7-carboxylate

C10H7FO4 — CID 123445996

IUPACfluoro 4-oxo-2,3-dihydrochromene-7-carboxylate
SMILESO=C(OF)c1ccc2c(c1)OCCC2=O
InChIInChI=1S/C10H7FO4/c11-15-10(13)6-1-2-7-8(12)3-4-14-9(7)5-6/h1-2,5H,3-4H2
InChIKeyKBLQTELWLHZZAZ-UHFFFAOYSA-N
MW210.16 g/mol
LogP1.69
Rot. Bonds1

About fluoro 4-oxo-2,3-dihydrochromene-7-carboxylate

fluoro 4-oxo-2,3-dihydrochromene-7-carboxylate (PubChem CID 123445996) has the molecular formula C10H7FO4 and a molecular weight of 210.16 g/mol. Its IUPAC name is fluoro 4-oxo-2,3-dihydrochromene-7-carboxylate.

Molecular Properties

Compound Namefluoro 4-oxo-2,3-dihydrochromene-7-carboxylate
PubChem CID123445996
Molecular FormulaC10H7FO4
Molecular Weight210.16 g/mol
Exact Mass210.03
IUPAC Namefluoro 4-oxo-2,3-dihydrochromene-7-carboxylate
SMILESO=C(OF)c1ccc2c(c1)OCCC2=O
InChIInChI=1S/C10H7FO4/c11-15-10(13)6-1-2-7-8(12)3-4-14-9(7)5-6/h1-2,5H,3-4H2
InChIKeyKBLQTELWLHZZAZ-UHFFFAOYSA-N
XLogP1.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 4-oxo-2,3-dihydrochromene-7-carboxylate?
The IUPAC name of fluoro 4-oxo-2,3-dihydrochromene-7-carboxylate (CID 123445996) is fluoro 4-oxo-2,3-dihydrochromene-7-carboxylate.
What is the SMILES notation for fluoro 4-oxo-2,3-dihydrochromene-7-carboxylate?
The canonical SMILES for fluoro 4-oxo-2,3-dihydrochromene-7-carboxylate is O=C(OF)c1ccc2c(c1)OCCC2=O.
What is the InChIKey of fluoro 4-oxo-2,3-dihydrochromene-7-carboxylate?
The InChIKey is KBLQTELWLHZZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO4/c11-15-10(13)6-1-2-7-8(12)3-4-14-9(7)5-6/h1-2,5H,3-4H2.
What are the key properties of fluoro 4-oxo-2,3-dihydrochromene-7-carboxylate?
fluoro 4-oxo-2,3-dihydrochromene-7-carboxylate has a molecular weight of 210.16 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-oxo-2,3-dihydrochromene-7-carboxylate is sourced from PubChem (CID 123445996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).