2-[fluoro(methoxy)phosphoryl]propanoic acid

C4H8FO4P — CID 87463043

IUPAC2-[fluoro(methoxy)phosphoryl]propanoic acid
SMILESCOP(=O)(F)C(C)C(=O)O
InChIInChI=1S/C4H8FO4P/c1-3(4(6)7)10(5,8)9-2/h3H,1-2H3,(H,6,7)
InChIKeyZDBALPSFHKGKMV-UHFFFAOYSA-N
MW170.08 g/mol
LogP1.27
Rot. Bonds3

About 2-[fluoro(methoxy)phosphoryl]propanoic acid

2-[fluoro(methoxy)phosphoryl]propanoic acid (PubChem CID 87463043) has the molecular formula C4H8FO4P and a molecular weight of 170.08 g/mol. Its IUPAC name is 2-[fluoro(methoxy)phosphoryl]propanoic acid.

Molecular Properties

Compound Name2-[fluoro(methoxy)phosphoryl]propanoic acid
PubChem CID87463043
Molecular FormulaC4H8FO4P
Molecular Weight170.08 g/mol
Exact Mass170.01
IUPAC Name2-[fluoro(methoxy)phosphoryl]propanoic acid
SMILESCOP(=O)(F)C(C)C(=O)O
InChIInChI=1S/C4H8FO4P/c1-3(4(6)7)10(5,8)9-2/h3H,1-2H3,(H,6,7)
InChIKeyZDBALPSFHKGKMV-UHFFFAOYSA-N
XLogP1.27
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[methoxy(methyl)phosphoryl]amino]propanoic acid
CID 123444426
acetic acid;dimethylphosphoryloxymethane
CID 174989212
2-dimethoxyphosphoryloxypropanoic acid
CID 88549351
fluoro(methoxy)phosphinic acid
CID 23235630
3-dimethoxyphosphoryl-2-methylpropanoic acid
CID 88734508
2-methylpropanoic acid;ruthenium
CID 88674751
2-[ethoxy(methyl)phosphoryl]propanoic acid
CID 87306109
methyl 2-dimethoxyphosphorylpropanoate
CID 11019771
methyl (2S)-2-dimethoxyphosphorylpropanoate
CID 124577703
4-dimethoxyphosphoryl-2-methoxycarbonyl-3-methylbutanoic acid
CID 19107770
3-[methoxy(methyl)phosphoryl]oxy-2-methylpropanoic acid
CID 126576964
2-bromopropanoic acid;methoxymethane
CID 159963674

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(methoxy)phosphoryl]propanoic acid?
The IUPAC name of 2-[fluoro(methoxy)phosphoryl]propanoic acid (CID 87463043) is 2-[fluoro(methoxy)phosphoryl]propanoic acid.
What is the SMILES notation for 2-[fluoro(methoxy)phosphoryl]propanoic acid?
The canonical SMILES for 2-[fluoro(methoxy)phosphoryl]propanoic acid is COP(=O)(F)C(C)C(=O)O.
What is the InChIKey of 2-[fluoro(methoxy)phosphoryl]propanoic acid?
The InChIKey is ZDBALPSFHKGKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FO4P/c1-3(4(6)7)10(5,8)9-2/h3H,1-2H3,(H,6,7).
What are the key properties of 2-[fluoro(methoxy)phosphoryl]propanoic acid?
2-[fluoro(methoxy)phosphoryl]propanoic acid has a molecular weight of 170.08 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(methoxy)phosphoryl]propanoic acid is sourced from PubChem (CID 87463043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).