(2,6-difluorophenyl)phosphonic acid

C6H5F2O3P — CID 58262209

IUPAC(2,6-difluorophenyl)phosphonic acid
SMILESO=P(O)(O)c1c(F)cccc1F
InChIInChI=1S/C6H5F2O3P/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyNMLWBKVPYVARBT-UHFFFAOYSA-N
MW194.07 g/mol
LogP0.77
Rot. Bonds1

About (2,6-difluorophenyl)phosphonic acid

(2,6-difluorophenyl)phosphonic acid (PubChem CID 58262209) has the molecular formula C6H5F2O3P and a molecular weight of 194.07 g/mol. Its IUPAC name is (2,6-difluorophenyl)phosphonic acid.

Molecular Properties

Compound Name(2,6-difluorophenyl)phosphonic acid
PubChem CID58262209
Molecular FormulaC6H5F2O3P
Molecular Weight194.07 g/mol
Exact Mass193.99
IUPAC Name(2,6-difluorophenyl)phosphonic acid
SMILESO=P(O)(O)c1c(F)cccc1F
InChIInChI=1S/C6H5F2O3P/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyNMLWBKVPYVARBT-UHFFFAOYSA-N
XLogP0.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)phosphonic acid?
The IUPAC name of (2,6-difluorophenyl)phosphonic acid (CID 58262209) is (2,6-difluorophenyl)phosphonic acid.
What is the SMILES notation for (2,6-difluorophenyl)phosphonic acid?
The canonical SMILES for (2,6-difluorophenyl)phosphonic acid is O=P(O)(O)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)phosphonic acid?
The InChIKey is NMLWBKVPYVARBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2O3P/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,(H2,9,10,11).
What are the key properties of (2,6-difluorophenyl)phosphonic acid?
(2,6-difluorophenyl)phosphonic acid has a molecular weight of 194.07 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)phosphonic acid is sourced from PubChem (CID 58262209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).