2-diethylphosphoryl-2-fluoropropanoic acid

C7H14FO3P — CID 87462612

IUPAC2-diethylphosphoryl-2-fluoropropanoic acid
SMILESCCP(=O)(CC)C(C)(F)C(=O)O
InChIInChI=1S/C7H14FO3P/c1-4-12(11,5-2)7(3,8)6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKeyIROCQSNQNGHMNR-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.16
Rot. Bonds4

About 2-diethylphosphoryl-2-fluoropropanoic acid

2-diethylphosphoryl-2-fluoropropanoic acid (PubChem CID 87462612) has the molecular formula C7H14FO3P and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-diethylphosphoryl-2-fluoropropanoic acid.

Molecular Properties

Compound Name2-diethylphosphoryl-2-fluoropropanoic acid
PubChem CID87462612
Molecular FormulaC7H14FO3P
Molecular Weight196.16 g/mol
Exact Mass196.07
IUPAC Name2-diethylphosphoryl-2-fluoropropanoic acid
SMILESCCP(=O)(CC)C(C)(F)C(=O)O
InChIInChI=1S/C7H14FO3P/c1-4-12(11,5-2)7(3,8)6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKeyIROCQSNQNGHMNR-UHFFFAOYSA-N
XLogP2.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 52.16
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-diethylphosphoryl-2-fluoropropanoic acid?
The IUPAC name of 2-diethylphosphoryl-2-fluoropropanoic acid (CID 87462612) is 2-diethylphosphoryl-2-fluoropropanoic acid.
What is the SMILES notation for 2-diethylphosphoryl-2-fluoropropanoic acid?
The canonical SMILES for 2-diethylphosphoryl-2-fluoropropanoic acid is CCP(=O)(CC)C(C)(F)C(=O)O.
What is the InChIKey of 2-diethylphosphoryl-2-fluoropropanoic acid?
The InChIKey is IROCQSNQNGHMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FO3P/c1-4-12(11,5-2)7(3,8)6(9)10/h4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-diethylphosphoryl-2-fluoropropanoic acid?
2-diethylphosphoryl-2-fluoropropanoic acid has a molecular weight of 196.16 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethylphosphoryl-2-fluoropropanoic acid is sourced from PubChem (CID 87462612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).