methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium

C15H34F3O3P2+ — CID 158242345

IUPACmethoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium
SMILESCCCC[P+](C)(CCCC)CCCC.COP(=O)(O)C(F)(F)F
InChIInChI=1S/C13H30P.C2H4F3O3P/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-8-9(6,7)2(3,4)5/h5-13H2,1-4H3;1H3,(H,6,7)/q+1;
InChIKeyGFRSYCGQWHEYOF-UHFFFAOYSA-N
MW381.38 g/mol
LogP6.37
Rot. Bonds10

About methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium

methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium (PubChem CID 158242345) has the molecular formula C15H34F3O3P2+ and a molecular weight of 381.38 g/mol. Its IUPAC name is methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium.

Molecular Properties

Compound Namemethoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium
PubChem CID158242345
Molecular FormulaC15H34F3O3P2+
Molecular Weight381.38 g/mol
Exact Mass381.19
IUPAC Namemethoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium
SMILESCCCC[P+](C)(CCCC)CCCC.COP(=O)(O)C(F)(F)F
InChIInChI=1S/C13H30P.C2H4F3O3P/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-8-9(6,7)2(3,4)5/h5-13H2,1-4H3;1H3,(H,6,7)/q+1;
InChIKeyGFRSYCGQWHEYOF-UHFFFAOYSA-N
XLogP6.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.38
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium?
The IUPAC name of methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium (CID 158242345) is methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium.
What is the SMILES notation for methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium?
The canonical SMILES for methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium is CCCC[P+](C)(CCCC)CCCC.COP(=O)(O)C(F)(F)F.
What is the InChIKey of methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium?
The InChIKey is GFRSYCGQWHEYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30P.C2H4F3O3P/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-8-9(6,7)2(3,4)5/h5-13H2,1-4H3;1H3,(H,6,7)/q+1;.
What are the key properties of methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium?
methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium has a molecular weight of 381.38 g/mol, XLogP of 6.37, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium is sourced from PubChem (CID 158242345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).