(2,6-difluorophenyl)methoxyphosphonamidic acid

C7H8F2NO3P — CID 166772291

IUPAC(2,6-difluorophenyl)methoxyphosphonamidic acid
SMILESNP(=O)(O)OCc1c(F)cccc1F
InChIInChI=1S/C7H8F2NO3P/c8-6-2-1-3-7(9)5(6)4-13-14(10,11)12/h1-3H,4H2,(H3,10,11,12)
InChIKeySTTDLFQNUJFDPO-UHFFFAOYSA-N
MW223.11 g/mol
LogP1.54
Rot. Bonds3

About (2,6-difluorophenyl)methoxyphosphonamidic acid

(2,6-difluorophenyl)methoxyphosphonamidic acid (PubChem CID 166772291) has the molecular formula C7H8F2NO3P and a molecular weight of 223.11 g/mol. Its IUPAC name is (2,6-difluorophenyl)methoxyphosphonamidic acid.

Molecular Properties

Compound Name(2,6-difluorophenyl)methoxyphosphonamidic acid
PubChem CID166772291
Molecular FormulaC7H8F2NO3P
Molecular Weight223.11 g/mol
Exact Mass223.02
IUPAC Name(2,6-difluorophenyl)methoxyphosphonamidic acid
SMILESNP(=O)(O)OCc1c(F)cccc1F
InChIInChI=1S/C7H8F2NO3P/c8-6-2-1-3-7(9)5(6)4-13-14(10,11)12/h1-3H,4H2,(H3,10,11,12)
InChIKeySTTDLFQNUJFDPO-UHFFFAOYSA-N
XLogP1.54
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,6-difluorophenyl)methoxyphosphonamidic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)methoxyphosphonamidic acid?
The IUPAC name of (2,6-difluorophenyl)methoxyphosphonamidic acid (CID 166772291) is (2,6-difluorophenyl)methoxyphosphonamidic acid.
What is the SMILES notation for (2,6-difluorophenyl)methoxyphosphonamidic acid?
The canonical SMILES for (2,6-difluorophenyl)methoxyphosphonamidic acid is NP(=O)(O)OCc1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)methoxyphosphonamidic acid?
The InChIKey is STTDLFQNUJFDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2NO3P/c8-6-2-1-3-7(9)5(6)4-13-14(10,11)12/h1-3H,4H2,(H3,10,11,12).
What are the key properties of (2,6-difluorophenyl)methoxyphosphonamidic acid?
(2,6-difluorophenyl)methoxyphosphonamidic acid has a molecular weight of 223.11 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)methoxyphosphonamidic acid is sourced from PubChem (CID 166772291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).