CID 175068530

C2H10BF3LiO4S — CID 175068530

IUPAC—
SMILESCCOS(=O)(=O)O.F.F.F.[B].[H-].[Li+]
InChIInChI=1S/C2H6O4S.B.3FH.Li.H/c1-2-6-7(3,4)5;;;;;;/h2H2,1H3,(H,3,4,5);;3*1H;;/q;;;;;+1;-1
InChIKeyMASRQCKOXFIMEL-UHFFFAOYSA-N
MW204.91 g/mol
LogP-2.98
Rot. Bonds2

About CID 175068530

CID 175068530 (PubChem CID 175068530) has the molecular formula C2H10BF3LiO4S and a molecular weight of 204.91 g/mol.

Molecular Properties

Compound NameCID 175068530
PubChem CID175068530
Molecular FormulaC2H10BF3LiO4S
Molecular Weight204.91 g/mol
Exact Mass205.05
IUPAC Name—
SMILESCCOS(=O)(=O)O.F.F.F.[B].[H-].[Li+]
InChIInChI=1S/C2H6O4S.B.3FH.Li.H/c1-2-6-7(3,4)5;;;;;;/h2H2,1H3,(H,3,4,5);;3*1H;;/q;;;;;+1;-1
InChIKeyMASRQCKOXFIMEL-UHFFFAOYSA-N
XLogP-2.98
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.91
LogP ≤ 5-2.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175068530?
The IUPAC name of CID 175068530 (CID 175068530) is not available.
What is the SMILES notation for CID 175068530?
The canonical SMILES for CID 175068530 is CCOS(=O)(=O)O.F.F.F.[B].[H-].[Li+].
What is the InChIKey of CID 175068530?
The InChIKey is MASRQCKOXFIMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S.B.3FH.Li.H/c1-2-6-7(3,4)5;;;;;;/h2H2,1H3,(H,3,4,5);;3*1H;;/q;;;;;+1;-1.
What are the key properties of CID 175068530?
CID 175068530 has a molecular weight of 204.91 g/mol, XLogP of -2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175068530 is sourced from PubChem (CID 175068530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).