(3-fluorophenyl)phosphonic acid

C6H6FO3P — CID 12670621

IUPAC(3-fluorophenyl)phosphonic acid
SMILESO=P(O)(O)c1cccc(F)c1
InChIInChI=1S/C6H6FO3P/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyUNTVOPLXFPXQNV-UHFFFAOYSA-N
MW176.08 g/mol
LogP0.63
Rot. Bonds1

About (3-fluorophenyl)phosphonic acid

(3-fluorophenyl)phosphonic acid (PubChem CID 12670621) has the molecular formula C6H6FO3P and a molecular weight of 176.08 g/mol. Its IUPAC name is (3-fluorophenyl)phosphonic acid.

Molecular Properties

Compound Name(3-fluorophenyl)phosphonic acid
PubChem CID12670621
Molecular FormulaC6H6FO3P
Molecular Weight176.08 g/mol
Exact Mass176.00
IUPAC Name(3-fluorophenyl)phosphonic acid
SMILESO=P(O)(O)c1cccc(F)c1
InChIInChI=1S/C6H6FO3P/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyUNTVOPLXFPXQNV-UHFFFAOYSA-N
XLogP0.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 50.63
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 (3-fluorophenyl)phosphonic acid?
The IUPAC name of (3-fluorophenyl)phosphonic acid (CID 12670621) is (3-fluorophenyl)phosphonic acid.
What is the SMILES notation for (3-fluorophenyl)phosphonic acid?
The canonical SMILES for (3-fluorophenyl)phosphonic acid is O=P(O)(O)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)phosphonic acid?
The InChIKey is UNTVOPLXFPXQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FO3P/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10).
What are the key properties of (3-fluorophenyl)phosphonic acid?
(3-fluorophenyl)phosphonic acid has a molecular weight of 176.08 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)phosphonic acid is sourced from PubChem (CID 12670621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).