CID 12533260

C12H8F3OS+ — CID 12533260

IUPAC—
SMILESO=[S+](F)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C12H8F3OS/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H/q+1
InChIKeyJTPWSAHKKAUKCL-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.77
Rot. Bonds2

About CID 12533260

CID 12533260 (PubChem CID 12533260) has the molecular formula C12H8F3OS+ and a molecular weight of 257.26 g/mol.

Molecular Properties

Compound NameCID 12533260
PubChem CID12533260
Molecular FormulaC12H8F3OS+
Molecular Weight257.26 g/mol
Exact Mass257.02
IUPAC Name—
SMILESO=[S+](F)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C12H8F3OS/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H/q+1
InChIKeyJTPWSAHKKAUKCL-UHFFFAOYSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.77
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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Frequently Asked Questions

What is the IUPAC name of CID 12533260?
The IUPAC name of CID 12533260 (CID 12533260) is not available.
What is the SMILES notation for CID 12533260?
The canonical SMILES for CID 12533260 is O=[S+](F)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of CID 12533260?
The InChIKey is JTPWSAHKKAUKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3OS/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H/q+1.
What are the key properties of CID 12533260?
CID 12533260 has a molecular weight of 257.26 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12533260 is sourced from PubChem (CID 12533260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).