sodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate

C6H2F9NaO5S — CID 159122574

IUPACsodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate
SMILESO=C([O-])CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)F.[Na+]
InChIInChI=1S/C6H3F9O5S.Na/c7-3(8,1-2(16)17)4(9,10)20-5(11,12)6(13,14)21(15,18)19;/h1H2,(H,16,17);/q;+1/p-1
InChIKeyUZZFJYVVUMJBOU-UHFFFAOYSA-M
MW380.12 g/mol
LogP-2.14
Rot. Bonds7

About sodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate

sodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate (PubChem CID 159122574) has the molecular formula C6H2F9NaO5S and a molecular weight of 380.12 g/mol. Its IUPAC name is sodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate.

Molecular Properties

Compound Namesodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate
PubChem CID159122574
Molecular FormulaC6H2F9NaO5S
Molecular Weight380.12 g/mol
Exact Mass379.94
IUPAC Namesodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate
SMILESO=C([O-])CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)F.[Na+]
InChIInChI=1S/C6H3F9O5S.Na/c7-3(8,1-2(16)17)4(9,10)20-5(11,12)6(13,14)21(15,18)19;/h1H2,(H,16,17);/q;+1/p-1
InChIKeyUZZFJYVVUMJBOU-UHFFFAOYSA-M
XLogP-2.14
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.12
LogP ≤ 5-2.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetrafluoro-2-(1,1,2,2,3-pentafluoropropoxy)ethanesulfonyl fluoride
CID 158210089
potassium 2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoate
CID 23694417
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride
CID 98110115
[2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propoxy]propanoyl] 2,2,3,3-tetrafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propoxy]propaneperoxoate
CID 141080446
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxyethanesulfonyl fluoride
CID 14687568
2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride
CID 20502261
2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride
CID 11360103
1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride
CID 101047010
cesium 3,3,3-trifluoropropanoate
CID 171782209
potassium 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoate
CID 23685990
1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethoxy]ethanesulfonyl fluoride
CID 101047016
1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride
CID 165365650

Frequently Asked Questions

What is the IUPAC name of sodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate?
The IUPAC name of sodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate (CID 159122574) is sodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate.
What is the SMILES notation for sodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate?
The canonical SMILES for sodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate is O=C([O-])CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)F.[Na+].
What is the InChIKey of sodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate?
The InChIKey is UZZFJYVVUMJBOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3F9O5S.Na/c7-3(8,1-2(16)17)4(9,10)20-5(11,12)6(13,14)21(15,18)19;/h1H2,(H,16,17);/q;+1/p-1.
What are the key properties of sodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate?
sodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate has a molecular weight of 380.12 g/mol, XLogP of -2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoate is sourced from PubChem (CID 159122574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).