2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane

C13H28F2O6P2 — CID 11717839

IUPAC2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)C(F)(F)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C13H28F2O6P2/c1-9(2)18-22(16,19-10(3)4)13(14,15)23(17,20-11(5)6)21-12(7)8/h9-12H,1-8H3
InChIKeyQIZWQCNFQZUTJD-UHFFFAOYSA-N
MW380.31 g/mol
LogP5.62
Rot. Bonds10

About 2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane

2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane (PubChem CID 11717839) has the molecular formula C13H28F2O6P2 and a molecular weight of 380.31 g/mol. Its IUPAC name is 2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane
PubChem CID11717839
Molecular FormulaC13H28F2O6P2
Molecular Weight380.31 g/mol
Exact Mass380.13
IUPAC Name2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)C(F)(F)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C13H28F2O6P2/c1-9(2)18-22(16,19-10(3)4)13(14,15)23(17,20-11(5)6)21-12(7)8/h9-12H,1-8H3
InChIKeyQIZWQCNFQZUTJD-UHFFFAOYSA-N
XLogP5.62
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.31
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane?
The IUPAC name of 2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane (CID 11717839) is 2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane?
The canonical SMILES for 2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane is CC(C)OP(=O)(OC(C)C)C(F)(F)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane?
The InChIKey is QIZWQCNFQZUTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28F2O6P2/c1-9(2)18-22(16,19-10(3)4)13(14,15)23(17,20-11(5)6)21-12(7)8/h9-12H,1-8H3.
What are the key properties of 2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane?
2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane has a molecular weight of 380.31 g/mol, XLogP of 5.62, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane is sourced from PubChem (CID 11717839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).