[difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate

C11H19F2O7P — CID 139958370

IUPAC[difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCOP(=O)(OCOC(=O)C(C)C)C(F)F
InChIInChI=1S/C11H19F2O7P/c1-7(2)9(14)17-5-19-21(16,11(12)13)20-6-18-10(15)8(3)4/h7-8,11H,5-6H2,1-4H3
InChIKeyGHJZMZBKAGZYFJ-UHFFFAOYSA-N
MW332.24 g/mol
LogP2.75
Rot. Bonds9

About [difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate

[difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate (PubChem CID 139958370) has the molecular formula C11H19F2O7P and a molecular weight of 332.24 g/mol. Its IUPAC name is [difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate.

Molecular Properties

Compound Name[difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate
PubChem CID139958370
Molecular FormulaC11H19F2O7P
Molecular Weight332.24 g/mol
Exact Mass332.08
IUPAC Name[difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCOP(=O)(OCOC(=O)C(C)C)C(F)F
InChIInChI=1S/C11H19F2O7P/c1-7(2)9(14)17-5-19-21(16,11(12)13)20-6-18-10(15)8(3)4/h7-8,11H,5-6H2,1-4H3
InChIKeyGHJZMZBKAGZYFJ-UHFFFAOYSA-N
XLogP2.75
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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)phosphoryl]oxymethyl 2-methylpropanoate?
The IUPAC name of [difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate (CID 139958370) is [difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate.
What is the SMILES notation for [difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate?
The canonical SMILES for [difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate is CC(C)C(=O)OCOP(=O)(OCOC(=O)C(C)C)C(F)F.
What is the InChIKey of [difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate?
The InChIKey is GHJZMZBKAGZYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2O7P/c1-7(2)9(14)17-5-19-21(16,11(12)13)20-6-18-10(15)8(3)4/h7-8,11H,5-6H2,1-4H3.
What are the key properties of [difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate?
[difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate has a molecular weight of 332.24 g/mol, XLogP of 2.75, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoromethyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate is sourced from PubChem (CID 139958370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).