5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid

C7H4BrF3O3 — CID 84713437

IUPAC5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid
SMILESCc1oc(Br)c(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C7H4BrF3O3/c1-2-3(6(12)13)4(5(8)14-2)7(9,10)11/h1H3,(H,12,13)
InChIKeyLLRIQCZCIPZQJR-UHFFFAOYSA-N
MW273.00 g/mol
LogP3.07
Rot. Bonds1

About 5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid

5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid (PubChem CID 84713437) has the molecular formula C7H4BrF3O3 and a molecular weight of 273.00 g/mol. Its IUPAC name is 5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid
PubChem CID84713437
Molecular FormulaC7H4BrF3O3
Molecular Weight273.00 g/mol
Exact Mass271.93
IUPAC Name5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid
SMILESCc1oc(Br)c(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C7H4BrF3O3/c1-2-3(6(12)13)4(5(8)14-2)7(9,10)11/h1H3,(H,12,13)
InChIKeyLLRIQCZCIPZQJR-UHFFFAOYSA-N
XLogP3.07
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.00
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid?
The IUPAC name of 5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid (CID 84713437) is 5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid is Cc1oc(Br)c(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid?
The InChIKey is LLRIQCZCIPZQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3O3/c1-2-3(6(12)13)4(5(8)14-2)7(9,10)11/h1H3,(H,12,13).
What are the key properties of 5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid?
5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid has a molecular weight of 273.00 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid is sourced from PubChem (CID 84713437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).