1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid

C20H10F2O5 — CID 11152837

IUPAC1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid
SMILESO=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3cc(F)cc(F)c3)c12
InChIInChI=1S/C20H10F2O5/c21-10-6-9(7-11(22)8-10)12-4-5-15(20(25)26)18-16(12)13-2-1-3-14(19(23)24)17(13)27-18/h1-8H,(H,23,24)(H,25,26)
InChIKeyMGFTWMQMMYULDL-UHFFFAOYSA-N
MW368.29 g/mol
LogP4.93
Rot. Bonds3

About 1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid

1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid (PubChem CID 11152837) has the molecular formula C20H10F2O5 and a molecular weight of 368.29 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid
PubChem CID11152837
Molecular FormulaC20H10F2O5
Molecular Weight368.29 g/mol
Exact Mass368.05
IUPAC Name1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid
SMILESO=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3cc(F)cc(F)c3)c12
InChIInChI=1S/C20H10F2O5/c21-10-6-9(7-11(22)8-10)12-4-5-15(20(25)26)18-16(12)13-2-1-3-14(19(23)24)17(13)27-18/h1-8H,(H,23,24)(H,25,26)
InChIKeyMGFTWMQMMYULDL-UHFFFAOYSA-N
XLogP4.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid?
The IUPAC name of 1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid (CID 11152837) is 1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid.
What is the SMILES notation for 1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid?
The canonical SMILES for 1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid is O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3cc(F)cc(F)c3)c12.
What is the InChIKey of 1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid?
The InChIKey is MGFTWMQMMYULDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F2O5/c21-10-6-9(7-11(22)8-10)12-4-5-15(20(25)26)18-16(12)13-2-1-3-14(19(23)24)17(13)27-18/h1-8H,(H,23,24)(H,25,26).
What are the key properties of 1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid?
1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid has a molecular weight of 368.29 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)dibenzofuran-4,6-dicarboxylic acid is sourced from PubChem (CID 11152837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).