[2-(aminomethyl)-5-fluorophenyl]phosphonic acid

C7H9FNO3P — CID 67439850

IUPAC[2-(aminomethyl)-5-fluorophenyl]phosphonic acid
SMILESNCc1ccc(F)cc1P(=O)(O)O
InChIInChI=1S/C7H9FNO3P/c8-6-2-1-5(4-9)7(3-6)13(10,11)12/h1-3H,4,9H2,(H2,10,11,12)
InChIKeyKDUUZGGRCCPTDT-UHFFFAOYSA-N
MW205.12 g/mol
LogP0.09
Rot. Bonds2

About [2-(aminomethyl)-5-fluorophenyl]phosphonic acid

[2-(aminomethyl)-5-fluorophenyl]phosphonic acid (PubChem CID 67439850) has the molecular formula C7H9FNO3P and a molecular weight of 205.12 g/mol. Its IUPAC name is [2-(aminomethyl)-5-fluorophenyl]phosphonic acid.

Molecular Properties

Compound Name[2-(aminomethyl)-5-fluorophenyl]phosphonic acid
PubChem CID67439850
Molecular FormulaC7H9FNO3P
Molecular Weight205.12 g/mol
Exact Mass205.03
IUPAC Name[2-(aminomethyl)-5-fluorophenyl]phosphonic acid
SMILESNCc1ccc(F)cc1P(=O)(O)O
InChIInChI=1S/C7H9FNO3P/c8-6-2-1-5(4-9)7(3-6)13(10,11)12/h1-3H,4,9H2,(H2,10,11,12)
InChIKeyKDUUZGGRCCPTDT-UHFFFAOYSA-N
XLogP0.09
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.12
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(aminomethyl)-5-fluorophenyl]phosphonic acid?
The IUPAC name of [2-(aminomethyl)-5-fluorophenyl]phosphonic acid (CID 67439850) is [2-(aminomethyl)-5-fluorophenyl]phosphonic acid.
What is the SMILES notation for [2-(aminomethyl)-5-fluorophenyl]phosphonic acid?
The canonical SMILES for [2-(aminomethyl)-5-fluorophenyl]phosphonic acid is NCc1ccc(F)cc1P(=O)(O)O.
What is the InChIKey of [2-(aminomethyl)-5-fluorophenyl]phosphonic acid?
The InChIKey is KDUUZGGRCCPTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FNO3P/c8-6-2-1-5(4-9)7(3-6)13(10,11)12/h1-3H,4,9H2,(H2,10,11,12).
What are the key properties of [2-(aminomethyl)-5-fluorophenyl]phosphonic acid?
[2-(aminomethyl)-5-fluorophenyl]phosphonic acid has a molecular weight of 205.12 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-5-fluorophenyl]phosphonic acid is sourced from PubChem (CID 67439850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).