[2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite

C12H8ClF2N3OS — CID 145399965

IUPAC[2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite
SMILESOC(c1nccn1SF)c1ccc(F)c2ccc(Cl)n12
InChIInChI=1S/C12H8ClF2N3OS/c13-10-4-3-8-7(14)1-2-9(18(8)10)11(19)12-16-5-6-17(12)20-15/h1-6,11,19H
InChIKeyYLNVWNNTGIIRHH-UHFFFAOYSA-N
MW315.73 g/mol
LogP3.39
Rot. Bonds3

About [2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite

[2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite (PubChem CID 145399965) has the molecular formula C12H8ClF2N3OS and a molecular weight of 315.73 g/mol. Its IUPAC name is [2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite
PubChem CID145399965
Molecular FormulaC12H8ClF2N3OS
Molecular Weight315.73 g/mol
Exact Mass315.00
IUPAC Name[2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite
SMILESOC(c1nccn1SF)c1ccc(F)c2ccc(Cl)n12
InChIInChI=1S/C12H8ClF2N3OS/c13-10-4-3-8-7(14)1-2-9(18(8)10)11(19)12-16-5-6-17(12)20-15/h1-6,11,19H
InChIKeyYLNVWNNTGIIRHH-UHFFFAOYSA-N
XLogP3.39
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite?
The IUPAC name of [2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite (CID 145399965) is [2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite.
What is the SMILES notation for [2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite?
The canonical SMILES for [2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite is OC(c1nccn1SF)c1ccc(F)c2ccc(Cl)n12.
What is the InChIKey of [2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite?
The InChIKey is YLNVWNNTGIIRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N3OS/c13-10-4-3-8-7(14)1-2-9(18(8)10)11(19)12-16-5-6-17(12)20-15/h1-6,11,19H.
What are the key properties of [2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite?
[2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite has a molecular weight of 315.73 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chloro-8-fluoroindolizin-5-yl)-hydroxymethyl]imidazol-1-yl] thiohypofluorite is sourced from PubChem (CID 145399965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).