5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran

C12H10BrF3O — CID 141105005

IUPAC5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran
SMILESCc1c(Br)c(C)c2c(C(F)(F)F)coc2c1C
InChIInChI=1S/C12H10BrF3O/c1-5-6(2)11-9(7(3)10(5)13)8(4-17-11)12(14,15)16/h4H,1-3H3
InChIKeyNTXVEIBLBNKOCL-UHFFFAOYSA-N
MW307.11 g/mol
LogP5.14
Rot. Bonds

About 5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran

5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran (PubChem CID 141105005) has the molecular formula C12H10BrF3O and a molecular weight of 307.11 g/mol. Its IUPAC name is 5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran
PubChem CID141105005
Molecular FormulaC12H10BrF3O
Molecular Weight307.11 g/mol
Exact Mass305.99
IUPAC Name5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran
SMILESCc1c(Br)c(C)c2c(C(F)(F)F)coc2c1C
InChIInChI=1S/C12H10BrF3O/c1-5-6(2)11-9(7(3)10(5)13)8(4-17-11)12(14,15)16/h4H,1-3H3
InChIKeyNTXVEIBLBNKOCL-UHFFFAOYSA-N
XLogP5.14
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.11
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran (CID 141105005) is 5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran is Cc1c(Br)c(C)c2c(C(F)(F)F)coc2c1C.
What is the InChIKey of 5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran?
The InChIKey is NTXVEIBLBNKOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3O/c1-5-6(2)11-9(7(3)10(5)13)8(4-17-11)12(14,15)16/h4H,1-3H3.
What are the key properties of 5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran?
5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran has a molecular weight of 307.11 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6,7-trimethyl-3-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 141105005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).