3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde

C6H2BrF3OS — CID 131357282

IUPAC3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde
SMILESO=Cc1sc(C(F)(F)F)cc1Br
InChIInChI=1S/C6H2BrF3OS/c7-3-1-5(6(8,9)10)12-4(3)2-11/h1-2H
InChIKeyZIDYTZNNZQLSAF-UHFFFAOYSA-N
MW259.05 g/mol
LogP3.34
Rot. Bonds1

About 3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde

3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde (PubChem CID 131357282) has the molecular formula C6H2BrF3OS and a molecular weight of 259.05 g/mol. Its IUPAC name is 3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde
PubChem CID131357282
Molecular FormulaC6H2BrF3OS
Molecular Weight259.05 g/mol
Exact Mass257.90
IUPAC Name3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde
SMILESO=Cc1sc(C(F)(F)F)cc1Br
InChIInChI=1S/C6H2BrF3OS/c7-3-1-5(6(8,9)10)12-4(3)2-11/h1-2H
InChIKeyZIDYTZNNZQLSAF-UHFFFAOYSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde?
The IUPAC name of 3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde (CID 131357282) is 3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde?
The canonical SMILES for 3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde is O=Cc1sc(C(F)(F)F)cc1Br.
What is the InChIKey of 3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde?
The InChIKey is ZIDYTZNNZQLSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3OS/c7-3-1-5(6(8,9)10)12-4(3)2-11/h1-2H.
What are the key properties of 3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde?
3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde has a molecular weight of 259.05 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(trifluoromethyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 131357282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).