2-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane

C8H16F3O5PS — CID 71812560

IUPAC2-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(CS(=O)(=O)C(F)(F)F)OC(C)C
InChIInChI=1S/C8H16F3O5PS/c1-6(2)15-17(12,16-7(3)4)5-18(13,14)8(9,10)11/h6-7H,5H2,1-4H3
InChIKeyJUBMPNXACFMFEA-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.92
Rot. Bonds6

About 2-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane

2-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane (PubChem CID 71812560) has the molecular formula C8H16F3O5PS and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane
PubChem CID71812560
Molecular FormulaC8H16F3O5PS
Molecular Weight312.25 g/mol
Exact Mass312.04
IUPAC Name2-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(CS(=O)(=O)C(F)(F)F)OC(C)C
InChIInChI=1S/C8H16F3O5PS/c1-6(2)15-17(12,16-7(3)4)5-18(13,14)8(9,10)11/h6-7H,5H2,1-4H3
InChIKeyJUBMPNXACFMFEA-UHFFFAOYSA-N
XLogP2.92
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane?
The IUPAC name of 2-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane (CID 71812560) is 2-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane.
What is the SMILES notation for 2-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane?
The canonical SMILES for 2-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane is CC(C)OP(=O)(CS(=O)(=O)C(F)(F)F)OC(C)C.
What is the InChIKey of 2-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane?
The InChIKey is JUBMPNXACFMFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3O5PS/c1-6(2)15-17(12,16-7(3)4)5-18(13,14)8(9,10)11/h6-7H,5H2,1-4H3.
What are the key properties of 2-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane?
2-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane has a molecular weight of 312.25 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yloxy(trifluoromethylsulfonylmethyl)phosphoryl]oxypropane is sourced from PubChem (CID 71812560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).