(4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid

C8H11FNO4P — CID 67480070

IUPAC(4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid
SMILESCOc1cc(CP(=O)(O)O)cc(F)c1N
InChIInChI=1S/C8H11FNO4P/c1-14-7-3-5(4-15(11,12)13)2-6(9)8(7)10/h2-3H,4,10H2,1H3,(H2,11,12,13)
InChIKeyDYCJAYXCLOTSDG-UHFFFAOYSA-N
MW235.15 g/mol
LogP1.09
Rot. Bonds3

About (4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid

(4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid (PubChem CID 67480070) has the molecular formula C8H11FNO4P and a molecular weight of 235.15 g/mol. Its IUPAC name is (4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid.

Molecular Properties

Compound Name(4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid
PubChem CID67480070
Molecular FormulaC8H11FNO4P
Molecular Weight235.15 g/mol
Exact Mass235.04
IUPAC Name(4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid
SMILESCOc1cc(CP(=O)(O)O)cc(F)c1N
InChIInChI=1S/C8H11FNO4P/c1-14-7-3-5(4-15(11,12)13)2-6(9)8(7)10/h2-3H,4,10H2,1H3,(H2,11,12,13)
InChIKeyDYCJAYXCLOTSDG-UHFFFAOYSA-N
XLogP1.09
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid?
The IUPAC name of (4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid (CID 67480070) is (4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid.
What is the SMILES notation for (4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid?
The canonical SMILES for (4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid is COc1cc(CP(=O)(O)O)cc(F)c1N.
What is the InChIKey of (4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid?
The InChIKey is DYCJAYXCLOTSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FNO4P/c1-14-7-3-5(4-15(11,12)13)2-6(9)8(7)10/h2-3H,4,10H2,1H3,(H2,11,12,13).
What are the key properties of (4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid?
(4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid has a molecular weight of 235.15 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluoro-5-methoxyphenyl)methylphosphonic acid is sourced from PubChem (CID 67480070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).