lithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane

C4F9LiO3S — CID 175690213

IUPAClithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane
SMILESO=[S-](=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C4F9O3S.Li/c5-1(6,3(9,10)11)2(7,8)4(12,13)16-17(14)15;/q-1;+1
InChIKeyAYEAKOLQIUGICN-UHFFFAOYSA-N
MW306.03 g/mol
LogP-0.34
Rot. Bonds4

About lithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane

lithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane (PubChem CID 175690213) has the molecular formula C4F9LiO3S and a molecular weight of 306.03 g/mol. Its IUPAC name is lithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane.

Molecular Properties

Compound Namelithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane
PubChem CID175690213
Molecular FormulaC4F9LiO3S
Molecular Weight306.03 g/mol
Exact Mass305.96
IUPAC Namelithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane
SMILESO=[S-](=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C4F9O3S.Li/c5-1(6,3(9,10)11)2(7,8)4(12,13)16-17(14)15;/q-1;+1
InChIKeyAYEAKOLQIUGICN-UHFFFAOYSA-N
XLogP-0.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.03
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane?
The IUPAC name of lithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane (CID 175690213) is lithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane.
What is the SMILES notation for lithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane?
The canonical SMILES for lithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane is O=[S-](=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane?
The InChIKey is AYEAKOLQIUGICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F9O3S.Li/c5-1(6,3(9,10)11)2(7,8)4(12,13)16-17(14)15;/q-1;+1.
What are the key properties of lithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane?
lithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane has a molecular weight of 306.03 g/mol, XLogP of -0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,1,2,2,3,3,4,4-nonafluoro-4-sulfinatooxybutane is sourced from PubChem (CID 175690213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).