7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran

C9H3BrClF3O — CID 166609387

IUPAC7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran
SMILESFC(F)(F)c1coc2c(Br)cc(Cl)cc12
InChIInChI=1S/C9H3BrClF3O/c10-7-2-4(11)1-5-6(9(12,13)14)3-15-8(5)7/h1-3H
InChIKeyPGVFRPRHYSBIIO-UHFFFAOYSA-N
MW299.47 g/mol
LogP4.87
Rot. Bonds

About 7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran

7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran (PubChem CID 166609387) has the molecular formula C9H3BrClF3O and a molecular weight of 299.47 g/mol. Its IUPAC name is 7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran
PubChem CID166609387
Molecular FormulaC9H3BrClF3O
Molecular Weight299.47 g/mol
Exact Mass297.90
IUPAC Name7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran
SMILESFC(F)(F)c1coc2c(Br)cc(Cl)cc12
InChIInChI=1S/C9H3BrClF3O/c10-7-2-4(11)1-5-6(9(12,13)14)3-15-8(5)7/h1-3H
InChIKeyPGVFRPRHYSBIIO-UHFFFAOYSA-N
XLogP4.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran (CID 166609387) is 7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran is FC(F)(F)c1coc2c(Br)cc(Cl)cc12.
What is the InChIKey of 7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran?
The InChIKey is PGVFRPRHYSBIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrClF3O/c10-7-2-4(11)1-5-6(9(12,13)14)3-15-8(5)7/h1-3H.
What are the key properties of 7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran?
7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran has a molecular weight of 299.47 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-3-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 166609387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).