[amino-(4-fluorophenyl)methyl]phosphonic acid

C7H9FNO3P — CID 15255733

IUPAC[amino-(4-fluorophenyl)methyl]phosphonic acid
SMILESNC(c1ccc(F)cc1)P(=O)(O)O
InChIInChI=1S/C7H9FNO3P/c8-6-3-1-5(2-4-6)7(9)13(10,11)12/h1-4,7H,9H2,(H2,10,11,12)
InChIKeyVNELARWUCSOVHC-UHFFFAOYSA-N
MW205.13 g/mol
LogP0.96
Rot. Bonds2

About [amino-(4-fluorophenyl)methyl]phosphonic acid

[amino-(4-fluorophenyl)methyl]phosphonic acid (PubChem CID 15255733) has the molecular formula C7H9FNO3P and a molecular weight of 205.13 g/mol. Its IUPAC name is [amino-(4-fluorophenyl)methyl]phosphonic acid.

Molecular Properties

Compound Name[amino-(4-fluorophenyl)methyl]phosphonic acid
PubChem CID15255733
Molecular FormulaC7H9FNO3P
Molecular Weight205.13 g/mol
Exact Mass205.03
IUPAC Name[amino-(4-fluorophenyl)methyl]phosphonic acid
SMILESNC(c1ccc(F)cc1)P(=O)(O)O
InChIInChI=1S/C7H9FNO3P/c8-6-3-1-5(2-4-6)7(9)13(10,11)12/h1-4,7H,9H2,(H2,10,11,12)
InChIKeyVNELARWUCSOVHC-UHFFFAOYSA-N
XLogP0.96
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 50.96
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 [amino-(4-fluorophenyl)methyl]phosphonic acid?
The IUPAC name of [amino-(4-fluorophenyl)methyl]phosphonic acid (CID 15255733) is [amino-(4-fluorophenyl)methyl]phosphonic acid.
What is the SMILES notation for [amino-(4-fluorophenyl)methyl]phosphonic acid?
The canonical SMILES for [amino-(4-fluorophenyl)methyl]phosphonic acid is NC(c1ccc(F)cc1)P(=O)(O)O.
What is the InChIKey of [amino-(4-fluorophenyl)methyl]phosphonic acid?
The InChIKey is VNELARWUCSOVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FNO3P/c8-6-3-1-5(2-4-6)7(9)13(10,11)12/h1-4,7H,9H2,(H2,10,11,12).
What are the key properties of [amino-(4-fluorophenyl)methyl]phosphonic acid?
[amino-(4-fluorophenyl)methyl]phosphonic acid has a molecular weight of 205.13 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(4-fluorophenyl)methyl]phosphonic acid is sourced from PubChem (CID 15255733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).