difluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid

C6H11F2O5P — CID 139958369

IUPACdifluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid
SMILESCC(C)C(=O)OCOP(=O)(O)C(F)F
InChIInChI=1S/C6H11F2O5P/c1-4(2)5(9)12-3-13-14(10,11)6(7)8/h4,6H,3H2,1-2H3,(H,10,11)
InChIKeyIJQLKWVJNQQJRO-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.57
Rot. Bonds5

About difluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid

difluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid (PubChem CID 139958369) has the molecular formula C6H11F2O5P and a molecular weight of 232.12 g/mol. Its IUPAC name is difluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid.

Molecular Properties

Compound Namedifluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid
PubChem CID139958369
Molecular FormulaC6H11F2O5P
Molecular Weight232.12 g/mol
Exact Mass232.03
IUPAC Namedifluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid
SMILESCC(C)C(=O)OCOP(=O)(O)C(F)F
InChIInChI=1S/C6H11F2O5P/c1-4(2)5(9)12-3-13-14(10,11)6(7)8/h4,6H,3H2,1-2H3,(H,10,11)
InChIKeyIJQLKWVJNQQJRO-UHFFFAOYSA-N
XLogP1.57
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of difluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid?
The IUPAC name of difluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid (CID 139958369) is difluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid.
What is the SMILES notation for difluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid?
The canonical SMILES for difluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid is CC(C)C(=O)OCOP(=O)(O)C(F)F.
What is the InChIKey of difluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid?
The InChIKey is IJQLKWVJNQQJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2O5P/c1-4(2)5(9)12-3-13-14(10,11)6(7)8/h4,6H,3H2,1-2H3,(H,10,11).
What are the key properties of difluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid?
difluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid has a molecular weight of 232.12 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl(2-methylpropanoyloxymethoxy)phosphinic acid is sourced from PubChem (CID 139958369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).