lithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane

C2F5LiO3S — CID 175706382

IUPAClithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane
SMILESO=[S-](=O)OC(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C2F5O3S.Li/c3-1(4,5)2(6,7)10-11(8)9;/q-1;+1
InChIKeyOCQRFOVRZJSPHX-UHFFFAOYSA-N
MW206.02 g/mol
LogP-1.61
Rot. Bonds2

About lithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane

lithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane (PubChem CID 175706382) has the molecular formula C2F5LiO3S and a molecular weight of 206.02 g/mol. Its IUPAC name is lithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane.

Molecular Properties

Compound Namelithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane
PubChem CID175706382
Molecular FormulaC2F5LiO3S
Molecular Weight206.02 g/mol
Exact Mass205.96
IUPAC Namelithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane
SMILESO=[S-](=O)OC(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C2F5O3S.Li/c3-1(4,5)2(6,7)10-11(8)9;/q-1;+1
InChIKeyOCQRFOVRZJSPHX-UHFFFAOYSA-N
XLogP-1.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.02
LogP ≤ 5-1.61
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'}

Analyze lithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane?
The IUPAC name of lithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane (CID 175706382) is lithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane.
What is the SMILES notation for lithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane?
The canonical SMILES for lithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane is O=[S-](=O)OC(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane?
The InChIKey is OCQRFOVRZJSPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F5O3S.Li/c3-1(4,5)2(6,7)10-11(8)9;/q-1;+1.
What are the key properties of lithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane?
lithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane has a molecular weight of 206.02 g/mol, XLogP of -1.61, 2 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-pentafluoro-2-sulfinatooxyethane is sourced from PubChem (CID 175706382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).