2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole

C13H7BrF3NS — CID 138496787

IUPAC2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole
SMILESFC(F)(F)c1ccccc1-c1c[nH]c2sc(Br)cc12
InChIInChI=1S/C13H7BrF3NS/c14-11-5-8-9(6-18-12(8)19-11)7-3-1-2-4-10(7)13(15,16)17/h1-6,18H
InChIKeyFQAXQUGZAUGOGH-UHFFFAOYSA-N
MW346.17 g/mol
LogP5.68
Rot. Bonds1

About 2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole

2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole (PubChem CID 138496787) has the molecular formula C13H7BrF3NS and a molecular weight of 346.17 g/mol. Its IUPAC name is 2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole
PubChem CID138496787
Molecular FormulaC13H7BrF3NS
Molecular Weight346.17 g/mol
Exact Mass344.94
IUPAC Name2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole
SMILESFC(F)(F)c1ccccc1-c1c[nH]c2sc(Br)cc12
InChIInChI=1S/C13H7BrF3NS/c14-11-5-8-9(6-18-12(8)19-11)7-3-1-2-4-10(7)13(15,16)17/h1-6,18H
InChIKeyFQAXQUGZAUGOGH-UHFFFAOYSA-N
XLogP5.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.17
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole?
The IUPAC name of 2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole (CID 138496787) is 2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole.
What is the SMILES notation for 2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole?
The canonical SMILES for 2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole is FC(F)(F)c1ccccc1-c1c[nH]c2sc(Br)cc12.
What is the InChIKey of 2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole?
The InChIKey is FQAXQUGZAUGOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3NS/c14-11-5-8-9(6-18-12(8)19-11)7-3-1-2-4-10(7)13(15,16)17/h1-6,18H.
What are the key properties of 2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole?
2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole has a molecular weight of 346.17 g/mol, XLogP of 5.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole is sourced from PubChem (CID 138496787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).