CID 23234555

C6H5F2OS+ — CID 23234555

IUPAC—
SMILESO=[S+](F)(F)c1ccccc1
InChIInChI=1S/C6H5F2OS/c7-10(8,9)6-4-2-1-3-5-6/h1-5H/q+1
InChIKeyQODRAMCOSOMDQH-UHFFFAOYSA-N
MW163.17 g/mol
LogP2.31
Rot. Bonds1

About CID 23234555

CID 23234555 (PubChem CID 23234555) has the molecular formula C6H5F2OS+ and a molecular weight of 163.17 g/mol.

Molecular Properties

Compound NameCID 23234555
PubChem CID23234555
Molecular FormulaC6H5F2OS+
Molecular Weight163.17 g/mol
Exact Mass163.00
IUPAC Name—
SMILESO=[S+](F)(F)c1ccccc1
InChIInChI=1S/C6H5F2OS/c7-10(8,9)6-4-2-1-3-5-6/h1-5H/q+1
InChIKeyQODRAMCOSOMDQH-UHFFFAOYSA-N
XLogP2.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 23234555?
The IUPAC name of CID 23234555 (CID 23234555) is not available.
What is the SMILES notation for CID 23234555?
The canonical SMILES for CID 23234555 is O=[S+](F)(F)c1ccccc1.
What is the InChIKey of CID 23234555?
The InChIKey is QODRAMCOSOMDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2OS/c7-10(8,9)6-4-2-1-3-5-6/h1-5H/q+1.
What are the key properties of CID 23234555?
CID 23234555 has a molecular weight of 163.17 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23234555 is sourced from PubChem (CID 23234555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).