2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane

C10H17F7O4P+ — CID 161399800

IUPAC2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane
SMILESC.C[P+](=O)OCCOCCOCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F7O4P.CH4/c1-21(17)20-5-4-18-2-3-19-6-7(10,11)8(12,13)9(14,15)16;/h2-6H2,1H3;1H4/q+1;
InChIKeyCQQVAZKWDRUEJO-UHFFFAOYSA-N
MW365.20 g/mol
LogP3.88
Rot. Bonds10

About 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane

2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane (PubChem CID 161399800) has the molecular formula C10H17F7O4P+ and a molecular weight of 365.20 g/mol. Its IUPAC name is 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane.

Molecular Properties

Compound Name2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane
PubChem CID161399800
Molecular FormulaC10H17F7O4P+
Molecular Weight365.20 g/mol
Exact Mass365.07
IUPAC Name2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane
SMILESC.C[P+](=O)OCCOCCOCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F7O4P.CH4/c1-21(17)20-5-4-18-2-3-19-6-7(10,11)8(12,13)9(14,15)16;/h2-6H2,1H3;1H4/q+1;
InChIKeyCQQVAZKWDRUEJO-UHFFFAOYSA-N
XLogP3.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4-nonafluoro-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane
CID 102378165
1-(2,2,3,3,4,4,4-heptafluorobutoxy)-10-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decane
CID 126609131
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol
CID 175826701
1,3-bis(2,2,3,3,4,4,4-heptafluorobutoxy)propan-2-ol
CID 98454538
6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 98454570
CID 158938378
CID 158938378
1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
CID 142737837
methyl-oxo-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethoxy]phosphanium
CID 139483955
methyl-oxo-[6,6,6-trifluoro-4,4-bis(trifluoromethyl)hexoxy]phosphanium
CID 58225249
(2R)-3-(2,2,3,3,4,4,4-heptafluorobutoxy)propane-1,2-diol
CID 95757053
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-sulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102028031
2,2,3,3,4,4-hexafluoro-1-propoxypentane
CID 122536211

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane?
The IUPAC name of 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane (CID 161399800) is 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane.
What is the SMILES notation for 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane?
The canonical SMILES for 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane is C.C[P+](=O)OCCOCCOCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane?
The InChIKey is CQQVAZKWDRUEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F7O4P.CH4/c1-21(17)20-5-4-18-2-3-19-6-7(10,11)8(12,13)9(14,15)16;/h2-6H2,1H3;1H4/q+1;.
What are the key properties of 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane?
2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane has a molecular weight of 365.20 g/mol, XLogP of 3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethoxy-methyl-oxophosphanium;methane is sourced from PubChem (CID 161399800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).