[difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid

C19H13F2O4P — CID 177375816

IUPAC[difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)c1ccc(-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C19H13F2O4P/c20-19(21,26(22,23)24)15-11-10-13(12-6-2-1-3-7-12)18-17(15)14-8-4-5-9-16(14)25-18/h1-11H,(H2,22,23,24)
InChIKeyFXLKYDRCHHTLQW-UHFFFAOYSA-N
MW374.28 g/mol
LogP5.48
Rot. Bonds3

About [difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid

[difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid (PubChem CID 177375816) has the molecular formula C19H13F2O4P and a molecular weight of 374.28 g/mol. Its IUPAC name is [difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid.

Molecular Properties

Compound Name[difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid
PubChem CID177375816
Molecular FormulaC19H13F2O4P
Molecular Weight374.28 g/mol
Exact Mass374.05
IUPAC Name[difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)c1ccc(-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C19H13F2O4P/c20-19(21,26(22,23)24)15-11-10-13(12-6-2-1-3-7-12)18-17(15)14-8-4-5-9-16(14)25-18/h1-11H,(H2,22,23,24)
InChIKeyFXLKYDRCHHTLQW-UHFFFAOYSA-N
XLogP5.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.28
LogP ≤ 55.48
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 [difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid?
The IUPAC name of [difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid (CID 177375816) is [difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid.
What is the SMILES notation for [difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid?
The canonical SMILES for [difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid is O=P(O)(O)C(F)(F)c1ccc(-c2ccccc2)c2oc3ccccc3c12.
What is the InChIKey of [difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid?
The InChIKey is FXLKYDRCHHTLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2O4P/c20-19(21,26(22,23)24)15-11-10-13(12-6-2-1-3-7-12)18-17(15)14-8-4-5-9-16(14)25-18/h1-11H,(H2,22,23,24).
What are the key properties of [difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid?
[difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid has a molecular weight of 374.28 g/mol, XLogP of 5.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-(4-phenyldibenzofuran-1-yl)methyl]phosphonic acid is sourced from PubChem (CID 177375816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).