bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate

C10H22FO6PS — CID 59728444

IUPACbis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate
SMILESCC(C)(C)OP(=O)(COS(=O)(=O)CF)OC(C)(C)C
InChIInChI=1S/C10H22FO6PS/c1-9(2,3)16-18(12,17-10(4,5)6)8-15-19(13,14)7-11/h7-8H2,1-6H3
InChIKeyFMJOXCTZOWYPKE-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.04
Rot. Bonds6

About bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate

bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate (PubChem CID 59728444) has the molecular formula C10H22FO6PS and a molecular weight of 320.32 g/mol. Its IUPAC name is bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate.

Molecular Properties

Compound Namebis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate
PubChem CID59728444
Molecular FormulaC10H22FO6PS
Molecular Weight320.32 g/mol
Exact Mass320.09
IUPAC Namebis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate
SMILESCC(C)(C)OP(=O)(COS(=O)(=O)CF)OC(C)(C)C
InChIInChI=1S/C10H22FO6PS/c1-9(2,3)16-18(12,17-10(4,5)6)8-15-19(13,14)7-11/h7-8H2,1-6H3
InChIKeyFMJOXCTZOWYPKE-UHFFFAOYSA-N
XLogP3.04
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate?
The IUPAC name of bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate (CID 59728444) is bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate.
What is the SMILES notation for bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate?
The canonical SMILES for bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate is CC(C)(C)OP(=O)(COS(=O)(=O)CF)OC(C)(C)C.
What is the InChIKey of bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate?
The InChIKey is FMJOXCTZOWYPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FO6PS/c1-9(2,3)16-18(12,17-10(4,5)6)8-15-19(13,14)7-11/h7-8H2,1-6H3.
What are the key properties of bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate?
bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate has a molecular weight of 320.32 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl fluoromethanesulfonate is sourced from PubChem (CID 59728444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).