[(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid

C9H10F2NO6P — CID 73355391

IUPAC[(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid
SMILESO=C(COC(c1ccc(F)c(F)c1)P(=O)(O)O)NO
InChIInChI=1S/C9H10F2NO6P/c10-6-2-1-5(3-7(6)11)9(19(15,16)17)18-4-8(13)12-14/h1-3,9,14H,4H2,(H,12,13)(H2,15,16,17)
InChIKeyKPOSWVQLDCXASO-UHFFFAOYSA-N
MW297.15 g/mol
LogP0.66
Rot. Bonds5

About [(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid

[(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid (PubChem CID 73355391) has the molecular formula C9H10F2NO6P and a molecular weight of 297.15 g/mol. Its IUPAC name is [(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid.

Molecular Properties

Compound Name[(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid
PubChem CID73355391
Molecular FormulaC9H10F2NO6P
Molecular Weight297.15 g/mol
Exact Mass297.02
IUPAC Name[(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid
SMILESO=C(COC(c1ccc(F)c(F)c1)P(=O)(O)O)NO
InChIInChI=1S/C9H10F2NO6P/c10-6-2-1-5(3-7(6)11)9(19(15,16)17)18-4-8(13)12-14/h1-3,9,14H,4H2,(H,12,13)(H2,15,16,17)
InChIKeyKPOSWVQLDCXASO-UHFFFAOYSA-N
XLogP0.66
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid?
The IUPAC name of [(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid (CID 73355391) is [(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid.
What is the SMILES notation for [(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid?
The canonical SMILES for [(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid is O=C(COC(c1ccc(F)c(F)c1)P(=O)(O)O)NO.
What is the InChIKey of [(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid?
The InChIKey is KPOSWVQLDCXASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2NO6P/c10-6-2-1-5(3-7(6)11)9(19(15,16)17)18-4-8(13)12-14/h1-3,9,14H,4H2,(H,12,13)(H2,15,16,17).
What are the key properties of [(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid?
[(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid has a molecular weight of 297.15 g/mol, XLogP of 0.66, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-difluorophenyl)-[2-(hydroxyamino)-2-oxoethoxy]methyl]phosphonic acid is sourced from PubChem (CID 73355391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).