2-dimethylphosphoryl-2-fluoropropanoic acid

C5H10FO3P — CID 87461951

IUPAC2-dimethylphosphoryl-2-fluoropropanoic acid
SMILESCC(F)(C(=O)O)P(C)(C)=O
InChIInChI=1S/C5H10FO3P/c1-5(6,4(7)8)10(2,3)9/h1-3H3,(H,7,8)
InChIKeyVAZIAHRZXUKOGU-UHFFFAOYSA-N
MW168.10 g/mol
LogP1.38
Rot. Bonds2

About 2-dimethylphosphoryl-2-fluoropropanoic acid

2-dimethylphosphoryl-2-fluoropropanoic acid (PubChem CID 87461951) has the molecular formula C5H10FO3P and a molecular weight of 168.10 g/mol. Its IUPAC name is 2-dimethylphosphoryl-2-fluoropropanoic acid.

Molecular Properties

Compound Name2-dimethylphosphoryl-2-fluoropropanoic acid
PubChem CID87461951
Molecular FormulaC5H10FO3P
Molecular Weight168.10 g/mol
Exact Mass168.04
IUPAC Name2-dimethylphosphoryl-2-fluoropropanoic acid
SMILESCC(F)(C(=O)O)P(C)(C)=O
InChIInChI=1S/C5H10FO3P/c1-5(6,4(7)8)10(2,3)9/h1-3H3,(H,7,8)
InChIKeyVAZIAHRZXUKOGU-UHFFFAOYSA-N
XLogP1.38
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.10
LogP ≤ 51.38
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-dimethylphosphoryl-2-fluoropropanoic acid?
The IUPAC name of 2-dimethylphosphoryl-2-fluoropropanoic acid (CID 87461951) is 2-dimethylphosphoryl-2-fluoropropanoic acid.
What is the SMILES notation for 2-dimethylphosphoryl-2-fluoropropanoic acid?
The canonical SMILES for 2-dimethylphosphoryl-2-fluoropropanoic acid is CC(F)(C(=O)O)P(C)(C)=O.
What is the InChIKey of 2-dimethylphosphoryl-2-fluoropropanoic acid?
The InChIKey is VAZIAHRZXUKOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FO3P/c1-5(6,4(7)8)10(2,3)9/h1-3H3,(H,7,8).
What are the key properties of 2-dimethylphosphoryl-2-fluoropropanoic acid?
2-dimethylphosphoryl-2-fluoropropanoic acid has a molecular weight of 168.10 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryl-2-fluoropropanoic acid is sourced from PubChem (CID 87461951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).