[dibenzofuran-1-yl(difluoro)methyl]phosphonic acid

C13H9F2O4P — CID 177375814

IUPAC[dibenzofuran-1-yl(difluoro)methyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)c1cccc2oc3ccccc3c12
InChIInChI=1S/C13H9F2O4P/c14-13(15,20(16,17)18)9-5-3-7-11-12(9)8-4-1-2-6-10(8)19-11/h1-7H,(H2,16,17,18)
InChIKeyWPSXNXIWEUSCHP-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.81
Rot. Bonds2

About [dibenzofuran-1-yl(difluoro)methyl]phosphonic acid

[dibenzofuran-1-yl(difluoro)methyl]phosphonic acid (PubChem CID 177375814) has the molecular formula C13H9F2O4P and a molecular weight of 298.18 g/mol. Its IUPAC name is [dibenzofuran-1-yl(difluoro)methyl]phosphonic acid.

Molecular Properties

Compound Name[dibenzofuran-1-yl(difluoro)methyl]phosphonic acid
PubChem CID177375814
Molecular FormulaC13H9F2O4P
Molecular Weight298.18 g/mol
Exact Mass298.02
IUPAC Name[dibenzofuran-1-yl(difluoro)methyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)c1cccc2oc3ccccc3c12
InChIInChI=1S/C13H9F2O4P/c14-13(15,20(16,17)18)9-5-3-7-11-12(9)8-4-1-2-6-10(8)19-11/h1-7H,(H2,16,17,18)
InChIKeyWPSXNXIWEUSCHP-UHFFFAOYSA-N
XLogP3.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dibenzofuran-1-yl(difluoro)methyl]phosphonic acid?
The IUPAC name of [dibenzofuran-1-yl(difluoro)methyl]phosphonic acid (CID 177375814) is [dibenzofuran-1-yl(difluoro)methyl]phosphonic acid.
What is the SMILES notation for [dibenzofuran-1-yl(difluoro)methyl]phosphonic acid?
The canonical SMILES for [dibenzofuran-1-yl(difluoro)methyl]phosphonic acid is O=P(O)(O)C(F)(F)c1cccc2oc3ccccc3c12.
What is the InChIKey of [dibenzofuran-1-yl(difluoro)methyl]phosphonic acid?
The InChIKey is WPSXNXIWEUSCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2O4P/c14-13(15,20(16,17)18)9-5-3-7-11-12(9)8-4-1-2-6-10(8)19-11/h1-7H,(H2,16,17,18).
What are the key properties of [dibenzofuran-1-yl(difluoro)methyl]phosphonic acid?
[dibenzofuran-1-yl(difluoro)methyl]phosphonic acid has a molecular weight of 298.18 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dibenzofuran-1-yl(difluoro)methyl]phosphonic acid is sourced from PubChem (CID 177375814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).