4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid

C6H2BrF3O3S — CID 151917200

IUPAC4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1scc(Br)c1OC(F)(F)F
InChIInChI=1S/C6H2BrF3O3S/c7-2-1-14-4(5(11)12)3(2)13-6(8,9)10/h1H,(H,11,12)
InChIKeySVZVPJPQBWLKNU-UHFFFAOYSA-N
MW291.04 g/mol
LogP3.11
Rot. Bonds2

About 4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid

4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid (PubChem CID 151917200) has the molecular formula C6H2BrF3O3S and a molecular weight of 291.04 g/mol. Its IUPAC name is 4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid
PubChem CID151917200
Molecular FormulaC6H2BrF3O3S
Molecular Weight291.04 g/mol
Exact Mass289.89
IUPAC Name4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1scc(Br)c1OC(F)(F)F
InChIInChI=1S/C6H2BrF3O3S/c7-2-1-14-4(5(11)12)3(2)13-6(8,9)10/h1H,(H,11,12)
InChIKeySVZVPJPQBWLKNU-UHFFFAOYSA-N
XLogP3.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.04
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid?
The IUPAC name of 4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid (CID 151917200) is 4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid is O=C(O)c1scc(Br)c1OC(F)(F)F.
What is the InChIKey of 4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid?
The InChIKey is SVZVPJPQBWLKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3O3S/c7-2-1-14-4(5(11)12)3(2)13-6(8,9)10/h1H,(H,11,12).
What are the key properties of 4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid?
4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid has a molecular weight of 291.04 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(trifluoromethoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 151917200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).