5-fluoro-2-benzofuran-1,3-dione

C16H6F2O6 — CID 159746884

IUPAC5-fluoro-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(F)ccc21.O=C1OC(=O)c2cc(F)ccc21
InChIInChI=1S/2C8H3FO3/c2*9-4-1-2-5-6(3-4)8(11)12-7(5)10/h2*1-3H
InChIKeyNDDMUWCRRYMWPO-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.27
Rot. Bonds

About 5-fluoro-2-benzofuran-1,3-dione

5-fluoro-2-benzofuran-1,3-dione (PubChem CID 159746884) has the molecular formula C16H6F2O6 and a molecular weight of 332.21 g/mol. Its IUPAC name is 5-fluoro-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-fluoro-2-benzofuran-1,3-dione
PubChem CID159746884
Molecular FormulaC16H6F2O6
Molecular Weight332.21 g/mol
Exact Mass332.01
IUPAC Name5-fluoro-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(F)ccc21.O=C1OC(=O)c2cc(F)ccc21
InChIInChI=1S/2C8H3FO3/c2*9-4-1-2-5-6(3-4)8(11)12-7(5)10/h2*1-3H
InChIKeyNDDMUWCRRYMWPO-UHFFFAOYSA-N
XLogP2.27
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7,15,23,31-tetrafluoro-2,10,18,26-tetraoxapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(28),4(9),5,7,12(17),13,15,20(25),21,23,29,31-dodecaene-3,11,19,27-tetrone
CID 102202796
6,14,22,30,38,46-hexafluoro-2,10,18,26,34,42-hexaoxaheptacyclo[42.4.0.04,9.012,17.020,25.028,33.036,41]octatetraconta-1(44),4(9),5,7,12(17),13,15,20(25),21,23,28(33),29,31,36(41),37,39,45,47-octadecaene-3,11,19,27,35,43-hexone
CID 102408059
(3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one
CID 173370903
5-[4-[4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]phenyl]phenyl]-2-benzofuran-1,3-dione
CID 102372125
benzene;5-fluoroisoindole-1,3-dione
CID 174849792
2-benzofuran-1,3-dione
CID 123741998
2-benzofuran-1,3-dione
CID 163894732
5-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoacetyl]-2-benzofuran-1,3-dione
CID 118399224
7-fluoro-4,4-dimethylisochromene-1,3-dione
CID 21428655
5-[diamino-(1,3-dioxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
CID 163589367
5-[2-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)ethynyl]phenyl]ethynyl]-2-benzofuran-1,3-dione
CID 58986454
5-[(1,3-dioxo-2-benzofuran-5-yl)-bis(trifluoromethyl)-λ4-sulfanyl]-2-benzofuran-1,3-dione
CID 88865794

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-benzofuran-1,3-dione?
The IUPAC name of 5-fluoro-2-benzofuran-1,3-dione (CID 159746884) is 5-fluoro-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-fluoro-2-benzofuran-1,3-dione?
The canonical SMILES for 5-fluoro-2-benzofuran-1,3-dione is O=C1OC(=O)c2cc(F)ccc21.O=C1OC(=O)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-2-benzofuran-1,3-dione?
The InChIKey is NDDMUWCRRYMWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H3FO3/c2*9-4-1-2-5-6(3-4)8(11)12-7(5)10/h2*1-3H.
What are the key properties of 5-fluoro-2-benzofuran-1,3-dione?
5-fluoro-2-benzofuran-1,3-dione has a molecular weight of 332.21 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-benzofuran-1,3-dione is sourced from PubChem (CID 159746884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).