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

C13H29FO6P2 — CID 12722940

IUPAC2-[[di(propan-2-yloxy)phosphoryl-fluoromethyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)C(F)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C13H29FO6P2/c1-9(2)17-21(15,18-10(3)4)13(14)22(16,19-11(5)6)20-12(7)8/h9-13H,1-8H3
InChIKeyXXNLZMODXBPUOM-UHFFFAOYSA-N
MW362.32 g/mol
LogP5.33
Rot. Bonds10

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

2-[[di(propan-2-yloxy)phosphoryl-fluoromethyl]-propan-2-yloxyphosphoryl]oxypropane (PubChem CID 12722940) has the molecular formula C13H29FO6P2 and a molecular weight of 362.32 g/mol. Its IUPAC name is 2-[[di(propan-2-yloxy)phosphoryl-fluoromethyl]-propan-2-yloxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[[di(propan-2-yloxy)phosphoryl-fluoromethyl]-propan-2-yloxyphosphoryl]oxypropane
PubChem CID12722940
Molecular FormulaC13H29FO6P2
Molecular Weight362.32 g/mol
Exact Mass362.14
IUPAC Name2-[[di(propan-2-yloxy)phosphoryl-fluoromethyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(OC(C)C)C(F)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C13H29FO6P2/c1-9(2)17-21(15,18-10(3)4)13(14)22(16,19-11(5)6)20-12(7)8/h9-13H,1-8H3
InChIKeyXXNLZMODXBPUOM-UHFFFAOYSA-N
XLogP5.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.32
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[[di(propan-2-yloxy)phosphoryl-fluoromethyl]-propan-2-yloxyphosphoryl]oxypropane?
The IUPAC name of 2-[[di(propan-2-yloxy)phosphoryl-fluoromethyl]-propan-2-yloxyphosphoryl]oxypropane (CID 12722940) is 2-[[di(propan-2-yloxy)phosphoryl-fluoromethyl]-propan-2-yloxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[[di(propan-2-yloxy)phosphoryl-fluoromethyl]-propan-2-yloxyphosphoryl]oxypropane?
The canonical SMILES for 2-[[di(propan-2-yloxy)phosphoryl-fluoromethyl]-propan-2-yloxyphosphoryl]oxypropane is CC(C)OP(=O)(OC(C)C)C(F)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-[[di(propan-2-yloxy)phosphoryl-fluoromethyl]-propan-2-yloxyphosphoryl]oxypropane?
The InChIKey is XXNLZMODXBPUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29FO6P2/c1-9(2)17-21(15,18-10(3)4)13(14)22(16,19-11(5)6)20-12(7)8/h9-13H,1-8H3.
What are the key properties of 2-[[di(propan-2-yloxy)phosphoryl-fluoromethyl]-propan-2-yloxyphosphoryl]oxypropane?
2-[[di(propan-2-yloxy)phosphoryl-fluoromethyl]-propan-2-yloxyphosphoryl]oxypropane has a molecular weight of 362.32 g/mol, XLogP of 5.33, 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-fluoromethyl]-propan-2-yloxyphosphoryl]oxypropane is sourced from PubChem (CID 12722940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).