[2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

C7H2BrF4N3S — CID 163271717

IUPAC[2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESFSn1cc(C(F)(F)F)c2nc(Br)cnc21
InChIInChI=1S/C7H2BrF4N3S/c8-4-1-13-6-5(14-4)3(7(9,10)11)2-15(6)16-12/h1-2H
InChIKeyCFZQFHKGMYXECT-UHFFFAOYSA-N
MW316.08 g/mol
LogP3.59
Rot. Bonds1

About [2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

[2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (PubChem CID 163271717) has the molecular formula C7H2BrF4N3S and a molecular weight of 316.08 g/mol. Its IUPAC name is [2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
PubChem CID163271717
Molecular FormulaC7H2BrF4N3S
Molecular Weight316.08 g/mol
Exact Mass314.91
IUPAC Name[2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESFSn1cc(C(F)(F)F)c2nc(Br)cnc21
InChIInChI=1S/C7H2BrF4N3S/c8-4-1-13-6-5(14-4)3(7(9,10)11)2-15(6)16-12/h1-2H
InChIKeyCFZQFHKGMYXECT-UHFFFAOYSA-N
XLogP3.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.08
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The IUPAC name of [2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (CID 163271717) is [2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.
What is the SMILES notation for [2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The canonical SMILES for [2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is FSn1cc(C(F)(F)F)c2nc(Br)cnc21.
What is the InChIKey of [2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The InChIKey is CFZQFHKGMYXECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF4N3S/c8-4-1-13-6-5(14-4)3(7(9,10)11)2-15(6)16-12/h1-2H.
What are the key properties of [2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
[2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite has a molecular weight of 316.08 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-7-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is sourced from PubChem (CID 163271717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).