CID 172750944

C4H11FLiO3S — CID 172750944

IUPAC—
SMILESCCCCS(=O)(=O)O.F.[Li]
InChIInChI=1S/C4H10O3S.FH.Li/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H,5,6,7);1H;
InChIKeySHDZEBUPWUNBQS-UHFFFAOYSA-N
MW165.13 g/mol
LogP0.45
Rot. Bonds3

About CID 172750944

CID 172750944 (PubChem CID 172750944) has the molecular formula C4H11FLiO3S and a molecular weight of 165.13 g/mol.

Molecular Properties

Compound NameCID 172750944
PubChem CID172750944
Molecular FormulaC4H11FLiO3S
Molecular Weight165.13 g/mol
Exact Mass165.06
IUPAC Name—
SMILESCCCCS(=O)(=O)O.F.[Li]
InChIInChI=1S/C4H10O3S.FH.Li/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H,5,6,7);1H;
InChIKeySHDZEBUPWUNBQS-UHFFFAOYSA-N
XLogP0.45
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 172750944?
The IUPAC name of CID 172750944 (CID 172750944) is not available.
What is the SMILES notation for CID 172750944?
The canonical SMILES for CID 172750944 is CCCCS(=O)(=O)O.F.[Li].
What is the InChIKey of CID 172750944?
The InChIKey is SHDZEBUPWUNBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S.FH.Li/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H,5,6,7);1H;.
What are the key properties of CID 172750944?
CID 172750944 has a molecular weight of 165.13 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172750944 is sourced from PubChem (CID 172750944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).