ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid

C9H12FO4P — CID 11042650

IUPACethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid
SMILESCCOP(=O)(O)C(O)c1ccc(F)cc1
InChIInChI=1S/C9H12FO4P/c1-2-14-15(12,13)9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3,(H,12,13)
InChIKeyJJJBHKKUIZRZEF-UHFFFAOYSA-N
MW234.16 g/mol
LogP2.04
Rot. Bonds4

About ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid

ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid (PubChem CID 11042650) has the molecular formula C9H12FO4P and a molecular weight of 234.16 g/mol. Its IUPAC name is ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid
PubChem CID11042650
Molecular FormulaC9H12FO4P
Molecular Weight234.16 g/mol
Exact Mass234.05
IUPAC Nameethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid
SMILESCCOP(=O)(O)C(O)c1ccc(F)cc1
InChIInChI=1S/C9H12FO4P/c1-2-14-15(12,13)9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3,(H,12,13)
InChIKeyJJJBHKKUIZRZEF-UHFFFAOYSA-N
XLogP2.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-[ethoxy(phenyl)phosphoryl]-(4-fluorophenyl)methanol
CID 11860165
1-[diethoxyphosphoryl-(4-fluorophenyl)methyl]-4-fluorobenzene
CID 10404973
(R)-[ethoxy(2-phenylethynyl)phosphoryl]-(4-fluorophenyl)methanol
CID 11860854
1-[(2R)-1-diethoxyphosphorylpropan-2-yl]-4-fluorobenzene
CID 102523077
2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine
CID 12749368
1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752073
[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid
CID 102300014
[(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid
CID 102291812
ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473012
ethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid
CID 141142647
ethyl (3S)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473011
[bromo(phenyl)methyl]-ethoxyphosphinic acid
CID 88730556

Frequently Asked Questions

What is the IUPAC name of ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid?
The IUPAC name of ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid (CID 11042650) is ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid.
What is the SMILES notation for ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid?
The canonical SMILES for ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid is CCOP(=O)(O)C(O)c1ccc(F)cc1.
What is the InChIKey of ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid?
The InChIKey is JJJBHKKUIZRZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FO4P/c1-2-14-15(12,13)9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3,(H,12,13).
What are the key properties of ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid?
ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid has a molecular weight of 234.16 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid is sourced from PubChem (CID 11042650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).