1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium

C14H29F4O3PS — CID 162068588

IUPAC1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium
SMILESCCCC[PH+](CCCC)CCCC.O=S(=O)([O-])C(F)(F)C(F)F
InChIInChI=1S/C12H27P.C2H2F4O3S/c1-4-7-10-13(11-8-5-2)12-9-6-3;3-1(4)2(5,6)10(7,8)9/h4-12H2,1-3H3;1H,(H,7,8,9)
InChIKeyZATUERZCEJRABD-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.99
Rot. Bonds11

About 1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium

1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium (PubChem CID 162068588) has the molecular formula C14H29F4O3PS and a molecular weight of 384.42 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium.

Molecular Properties

Compound Name1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium
PubChem CID162068588
Molecular FormulaC14H29F4O3PS
Molecular Weight384.42 g/mol
Exact Mass384.15
IUPAC Name1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium
SMILESCCCC[PH+](CCCC)CCCC.O=S(=O)([O-])C(F)(F)C(F)F
InChIInChI=1S/C12H27P.C2H2F4O3S/c1-4-7-10-13(11-8-5-2)12-9-6-3;3-1(4)2(5,6)10(7,8)9/h4-12H2,1-3H3;1H,(H,7,8,9)
InChIKeyZATUERZCEJRABD-UHFFFAOYSA-N
XLogP4.99
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tributylphosphanium sulfate
CID 19846650
lithium 1,1,2,2-tetrafluoroethanesulfonate
CID 87303573
lithium 1,1,2-trifluorohexane-1-sulfonate
CID 122481658
potassium 1,1,2-trifluoroheptane-1-sulfonate
CID 122481633
sodium 1,1,2-trifluorododecane-1-sulfonate
CID 122480987
platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium)
CID 131739274
dipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride
CID 160848959
carbon monoxide;tributylphosphanium;tungsten
CID 6327341
triethylphosphanium;trifluoromethanesulfonate
CID 158854651
platinum;bis(tributylphosphanium);dinitrite
CID 6333212
dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride
CID 158215424
lithium 1,1-difluorohexane-1-sulfonate
CID 122481859

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium?
The IUPAC name of 1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium (CID 162068588) is 1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium.
What is the SMILES notation for 1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium?
The canonical SMILES for 1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium is CCCC[PH+](CCCC)CCCC.O=S(=O)([O-])C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium?
The InChIKey is ZATUERZCEJRABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P.C2H2F4O3S/c1-4-7-10-13(11-8-5-2)12-9-6-3;3-1(4)2(5,6)10(7,8)9/h4-12H2,1-3H3;1H,(H,7,8,9).
What are the key properties of 1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium?
1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium has a molecular weight of 384.42 g/mol, XLogP of 4.99, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium is sourced from PubChem (CID 162068588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).