diethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid

C6H15F3O6PS+ — CID 174469995

IUPACdiethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid
SMILESCCO[P+](C)(O)OCC.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C5H14O3P.CHF3O3S/c1-4-7-9(3,6)8-5-2;2-1(3,4)8(5,6)7/h6H,4-5H2,1-3H3;(H,5,6,7)/q+1;
InChIKeyZZYOIKTYQVHSTQ-UHFFFAOYSA-N
MW303.22 g/mol
LogP1.84
Rot. Bonds4

About diethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid

diethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid (PubChem CID 174469995) has the molecular formula C6H15F3O6PS+ and a molecular weight of 303.22 g/mol. Its IUPAC name is diethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid.

Molecular Properties

Compound Namediethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid
PubChem CID174469995
Molecular FormulaC6H15F3O6PS+
Molecular Weight303.22 g/mol
Exact Mass303.03
IUPAC Namediethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid
SMILESCCO[P+](C)(O)OCC.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C5H14O3P.CHF3O3S/c1-4-7-9(3,6)8-5-2;2-1(3,4)8(5,6)7/h6H,4-5H2,1-3H3;(H,5,6,7)/q+1;
InChIKeyZZYOIKTYQVHSTQ-UHFFFAOYSA-N
XLogP1.84
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

1-aminoethanol;trifluoromethanesulfonic acid
CID 87298984
butane-1,2-diol;bis(trifluoromethanesulfonic acid)
CID 87128154
CID 175559572
CID 175559572
CID 88500193
CID 88500193
tricosane;trifluoromethanesulfonic acid
CID 161255361
azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid
CID 174524240
methanethiol;trifluoromethanesulfonic acid
CID 171923949
iodomethane;trifluoromethanesulfonic acid
CID 87959782
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
platinum;trifluoromethanesulfonic acid
CID 87655055
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674

Frequently Asked Questions

What is the IUPAC name of diethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid?
The IUPAC name of diethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid (CID 174469995) is diethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid.
What is the SMILES notation for diethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid?
The canonical SMILES for diethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid is CCO[P+](C)(O)OCC.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of diethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid?
The InChIKey is ZZYOIKTYQVHSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O3P.CHF3O3S/c1-4-7-9(3,6)8-5-2;2-1(3,4)8(5,6)7/h6H,4-5H2,1-3H3;(H,5,6,7)/q+1;.
What are the key properties of diethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid?
diethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid has a molecular weight of 303.22 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-hydroxy-methylphosphanium;trifluoromethanesulfonic acid is sourced from PubChem (CID 174469995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).