4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde

C6H2BrF3O2S — CID 153338645

IUPAC4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde
SMILESO=Cc1cc(Br)c(OC(F)(F)F)s1
InChIInChI=1S/C6H2BrF3O2S/c7-4-1-3(2-11)13-5(4)12-6(8,9)10/h1-2H
InChIKeyBFHPRZKZIQHKKR-UHFFFAOYSA-N
MW275.04 g/mol
LogP3.22
Rot. Bonds2

About 4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde

4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde (PubChem CID 153338645) has the molecular formula C6H2BrF3O2S and a molecular weight of 275.04 g/mol. Its IUPAC name is 4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde
PubChem CID153338645
Molecular FormulaC6H2BrF3O2S
Molecular Weight275.04 g/mol
Exact Mass273.89
IUPAC Name4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde
SMILESO=Cc1cc(Br)c(OC(F)(F)F)s1
InChIInChI=1S/C6H2BrF3O2S/c7-4-1-3(2-11)13-5(4)12-6(8,9)10/h1-2H
InChIKeyBFHPRZKZIQHKKR-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.04
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde?
The IUPAC name of 4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde (CID 153338645) is 4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde.
What is the SMILES notation for 4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde?
The canonical SMILES for 4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde is O=Cc1cc(Br)c(OC(F)(F)F)s1.
What is the InChIKey of 4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde?
The InChIKey is BFHPRZKZIQHKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3O2S/c7-4-1-3(2-11)13-5(4)12-6(8,9)10/h1-2H.
What are the key properties of 4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde?
4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde has a molecular weight of 275.04 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(trifluoromethoxy)thiophene-2-carbaldehyde is sourced from PubChem (CID 153338645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).