methoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium

C15H33F3O3P2 — CID 87669230

IUPACmethoxy(trifluoromethyl)phosphinate;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;/p-1
InChIKeyGFRSYCGQWHEYOF-UHFFFAOYSA-M
MW380.37 g/mol
LogP5.74
Rot. Bonds10

About methoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium

methoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium (PubChem CID 87669230) has the molecular formula C15H33F3O3P2 and a molecular weight of 380.37 g/mol. Its IUPAC name is methoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium.

Molecular Properties

Compound Namemethoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium
PubChem CID87669230
Molecular FormulaC15H33F3O3P2
Molecular Weight380.37 g/mol
Exact Mass380.19
IUPAC Namemethoxy(trifluoromethyl)phosphinate;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;/p-1
InChIKeyGFRSYCGQWHEYOF-UHFFFAOYSA-M
XLogP5.74
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium
CID 158242345
phosphoric acid;tributyl(methyl)phosphanium
CID 166680840
tributyl(methyl)phosphanium
CID 2760115
dimethyl hydrogen phosphate;methyl(trioctyl)phosphanium
CID 129073670
tributyl(methyl)phosphanium iodide
CID 2760114
ethyl(methyl)phosphinate;trihexyl(methyl)phosphanium
CID 90317907
azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid
CID 174524240
bis(2,4,4-trimethylpentyl)phosphinate;tributyl(methyl)phosphanium
CID 87080900
tributyl(methyl)phosphanium iodate
CID 158924304
2-[methoxy(methyl)phosphoryl]hexane
CID 87946542
dimethyl phosphate;tributyl(dodecyl)phosphanium
CID 160807591
trizinc;tris(3-methanidylheptane);phosphate
CID 158042505

Frequently Asked Questions

What is the IUPAC name of methoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium?
The IUPAC name of methoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium (CID 87669230) is methoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium.
What is the SMILES notation for methoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium?
The canonical SMILES for methoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium is CCCC[P+](C)(CCCC)CCCC.COP(=O)([O-])C(F)(F)F.
What is the InChIKey of methoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium?
The InChIKey is GFRSYCGQWHEYOF-UHFFFAOYSA-M. 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;/p-1.
What are the key properties of methoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium?
methoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium has a molecular weight of 380.37 g/mol, XLogP of 5.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium is sourced from PubChem (CID 87669230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).