difluorophosphoryl 2,2-dimethylpropanoate

C5H9F2O3P — CID 12690185

IUPACdifluorophosphoryl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OP(=O)(F)F
InChIInChI=1S/C5H9F2O3P/c1-5(2,3)4(8)10-11(6,7)9/h1-3H3
InChIKeyZHMZOVUXKFELIO-UHFFFAOYSA-N
MW186.09 g/mol
LogP2.62
Rot. Bonds1

About difluorophosphoryl 2,2-dimethylpropanoate

difluorophosphoryl 2,2-dimethylpropanoate (PubChem CID 12690185) has the molecular formula C5H9F2O3P and a molecular weight of 186.09 g/mol. Its IUPAC name is difluorophosphoryl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namedifluorophosphoryl 2,2-dimethylpropanoate
PubChem CID12690185
Molecular FormulaC5H9F2O3P
Molecular Weight186.09 g/mol
Exact Mass186.03
IUPAC Namedifluorophosphoryl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OP(=O)(F)F
InChIInChI=1S/C5H9F2O3P/c1-5(2,3)4(8)10-11(6,7)9/h1-3H3
InChIKeyZHMZOVUXKFELIO-UHFFFAOYSA-N
XLogP2.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.09
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diethoxyphosphoryl 2,2-dimethylpropanoate
CID 131858368
[2,3-dihydroxypropoxy(2,2-dimethylpropanoyloxy)phosphoryl] 2,2-dimethylpropanoate
CID 87133675
(1,1,1-trifluoro-2-methylpropan-2-yl) 2,2-dimethylpropanoate
CID 130411404
dimethylphosphoryl 2,2,2-trifluoroacetate
CID 154646257
dimethylphosphoryloxymethyl 2,2-dimethylpropanoate
CID 59034886
(2,3,5,6-tetrafluoro-4-methoxyphenyl) 2,2-dimethylpropanoate
CID 130411288
diphenylphosphinoselenoyl 2,2-dimethylpropanoate
CID 102161033
2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate
CID 54093777
[(1,1-difluoro-2,2-dimethylpropyl)-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 176768542
(2,2-difluoroethylamino) 2,2-dimethylpropanoate
CID 174942642
CID 102335903
CID 102335903
tris(2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate);yttrium(3+)
CID 177408778

Frequently Asked Questions

What is the IUPAC name of difluorophosphoryl 2,2-dimethylpropanoate?
The IUPAC name of difluorophosphoryl 2,2-dimethylpropanoate (CID 12690185) is difluorophosphoryl 2,2-dimethylpropanoate.
What is the SMILES notation for difluorophosphoryl 2,2-dimethylpropanoate?
The canonical SMILES for difluorophosphoryl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OP(=O)(F)F.
What is the InChIKey of difluorophosphoryl 2,2-dimethylpropanoate?
The InChIKey is ZHMZOVUXKFELIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2O3P/c1-5(2,3)4(8)10-11(6,7)9/h1-3H3.
What are the key properties of difluorophosphoryl 2,2-dimethylpropanoate?
difluorophosphoryl 2,2-dimethylpropanoate has a molecular weight of 186.09 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluorophosphoryl 2,2-dimethylpropanoate is sourced from PubChem (CID 12690185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).