2-fluoro-3-methyl-3-phosphorosobutanoic acid

C5H8FO3P — CID 174697181

IUPAC2-fluoro-3-methyl-3-phosphorosobutanoic acid
SMILESCC(C)(P=O)C(F)C(=O)O
InChIInChI=1S/C5H8FO3P/c1-5(2,10-9)3(6)4(7)8/h3H,1-2H3,(H,7,8)
InChIKeyGIMZCEPLUGVEJT-UHFFFAOYSA-N
MW166.09 g/mol
LogP1.48
Rot. Bonds3

About 2-fluoro-3-methyl-3-phosphorosobutanoic acid

2-fluoro-3-methyl-3-phosphorosobutanoic acid (PubChem CID 174697181) has the molecular formula C5H8FO3P and a molecular weight of 166.09 g/mol. Its IUPAC name is 2-fluoro-3-methyl-3-phosphorosobutanoic acid.

Molecular Properties

Compound Name2-fluoro-3-methyl-3-phosphorosobutanoic acid
PubChem CID174697181
Molecular FormulaC5H8FO3P
Molecular Weight166.09 g/mol
Exact Mass166.02
IUPAC Name2-fluoro-3-methyl-3-phosphorosobutanoic acid
SMILESCC(C)(P=O)C(F)C(=O)O
InChIInChI=1S/C5H8FO3P/c1-5(2,10-9)3(6)4(7)8/h3H,1-2H3,(H,7,8)
InChIKeyGIMZCEPLUGVEJT-UHFFFAOYSA-N
XLogP1.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.09
LogP ≤ 51.48
H-Bond Donors ≤ 51
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-fluoro-3-methyl-3-phosphorosobutanoic acid?
The IUPAC name of 2-fluoro-3-methyl-3-phosphorosobutanoic acid (CID 174697181) is 2-fluoro-3-methyl-3-phosphorosobutanoic acid.
What is the SMILES notation for 2-fluoro-3-methyl-3-phosphorosobutanoic acid?
The canonical SMILES for 2-fluoro-3-methyl-3-phosphorosobutanoic acid is CC(C)(P=O)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-methyl-3-phosphorosobutanoic acid?
The InChIKey is GIMZCEPLUGVEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FO3P/c1-5(2,10-9)3(6)4(7)8/h3H,1-2H3,(H,7,8).
What are the key properties of 2-fluoro-3-methyl-3-phosphorosobutanoic acid?
2-fluoro-3-methyl-3-phosphorosobutanoic acid has a molecular weight of 166.09 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-3-phosphorosobutanoic acid is sourced from PubChem (CID 174697181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).