(1-fluoro-3-methyl-2-oxobutyl)phosphonic acid

C5H10FO4P — CID 87462670

IUPAC(1-fluoro-3-methyl-2-oxobutyl)phosphonic acid
SMILESCC(C)C(=O)C(F)P(=O)(O)O
InChIInChI=1S/C5H10FO4P/c1-3(2)4(7)5(6)11(8,9)10/h3,5H,1-2H3,(H2,8,9,10)
InChIKeyQXUJYVCZQSOIIH-UHFFFAOYSA-N
MW184.10 g/mol
LogP0.68
Rot. Bonds3

About (1-fluoro-3-methyl-2-oxobutyl)phosphonic acid

(1-fluoro-3-methyl-2-oxobutyl)phosphonic acid (PubChem CID 87462670) has the molecular formula C5H10FO4P and a molecular weight of 184.10 g/mol. Its IUPAC name is (1-fluoro-3-methyl-2-oxobutyl)phosphonic acid.

Molecular Properties

Compound Name(1-fluoro-3-methyl-2-oxobutyl)phosphonic acid
PubChem CID87462670
Molecular FormulaC5H10FO4P
Molecular Weight184.10 g/mol
Exact Mass184.03
IUPAC Name(1-fluoro-3-methyl-2-oxobutyl)phosphonic acid
SMILESCC(C)C(=O)C(F)P(=O)(O)O
InChIInChI=1S/C5H10FO4P/c1-3(2)4(7)5(6)11(8,9)10/h3,5H,1-2H3,(H2,8,9,10)
InChIKeyQXUJYVCZQSOIIH-UHFFFAOYSA-N
XLogP0.68
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.10
LogP ≤ 50.68
H-Bond Donors ≤ 52
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 (1-fluoro-3-methyl-2-oxobutyl)phosphonic acid?
The IUPAC name of (1-fluoro-3-methyl-2-oxobutyl)phosphonic acid (CID 87462670) is (1-fluoro-3-methyl-2-oxobutyl)phosphonic acid.
What is the SMILES notation for (1-fluoro-3-methyl-2-oxobutyl)phosphonic acid?
The canonical SMILES for (1-fluoro-3-methyl-2-oxobutyl)phosphonic acid is CC(C)C(=O)C(F)P(=O)(O)O.
What is the InChIKey of (1-fluoro-3-methyl-2-oxobutyl)phosphonic acid?
The InChIKey is QXUJYVCZQSOIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FO4P/c1-3(2)4(7)5(6)11(8,9)10/h3,5H,1-2H3,(H2,8,9,10).
What are the key properties of (1-fluoro-3-methyl-2-oxobutyl)phosphonic acid?
(1-fluoro-3-methyl-2-oxobutyl)phosphonic acid has a molecular weight of 184.10 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-3-methyl-2-oxobutyl)phosphonic acid is sourced from PubChem (CID 87462670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).