CID 173312842

C3H5FKO3S — CID 173312842

IUPAC—
SMILESC=CCS(=O)(=O)OF.[K]
InChIInChI=1S/C3H5FO3S.K/c1-2-3-8(5,6)7-4;/h2H,1,3H2;
InChIKeyWBUWZRAWPPEGDP-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.02
Rot. Bonds3

About CID 173312842

CID 173312842 (PubChem CID 173312842) has the molecular formula C3H5FKO3S and a molecular weight of 179.23 g/mol.

Molecular Properties

Compound NameCID 173312842
PubChem CID173312842
Molecular FormulaC3H5FKO3S
Molecular Weight179.23 g/mol
Exact Mass178.96
IUPAC Name—
SMILESC=CCS(=O)(=O)OF.[K]
InChIInChI=1S/C3H5FO3S.K/c1-2-3-8(5,6)7-4;/h2H,1,3H2;
InChIKeyWBUWZRAWPPEGDP-UHFFFAOYSA-N
XLogP0.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173312842?
The IUPAC name of CID 173312842 (CID 173312842) is not available.
What is the SMILES notation for CID 173312842?
The canonical SMILES for CID 173312842 is C=CCS(=O)(=O)OF.[K].
What is the InChIKey of CID 173312842?
The InChIKey is WBUWZRAWPPEGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO3S.K/c1-2-3-8(5,6)7-4;/h2H,1,3H2;.
What are the key properties of CID 173312842?
CID 173312842 has a molecular weight of 179.23 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173312842 is sourced from PubChem (CID 173312842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).