3-tert-butyl-7-(trifluoromethyl)-1-benzofuran

C13H13F3O — CID 155278197

IUPAC3-tert-butyl-7-(trifluoromethyl)-1-benzofuran
SMILESCC(C)(C)c1coc2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H13F3O/c1-12(2,3)10-7-17-11-8(10)5-4-6-9(11)13(14,15)16/h4-7H,1-3H3
InChIKeyJLGOQEBQPHZDJB-UHFFFAOYSA-N
MW242.24 g/mol
LogP4.75
Rot. Bonds

About 3-tert-butyl-7-(trifluoromethyl)-1-benzofuran

3-tert-butyl-7-(trifluoromethyl)-1-benzofuran (PubChem CID 155278197) has the molecular formula C13H13F3O and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-tert-butyl-7-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name3-tert-butyl-7-(trifluoromethyl)-1-benzofuran
PubChem CID155278197
Molecular FormulaC13H13F3O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name3-tert-butyl-7-(trifluoromethyl)-1-benzofuran
SMILESCC(C)(C)c1coc2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H13F3O/c1-12(2,3)10-7-17-11-8(10)5-4-6-9(11)13(14,15)16/h4-7H,1-3H3
InChIKeyJLGOQEBQPHZDJB-UHFFFAOYSA-N
XLogP4.75
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 3-tert-butyl-7-(trifluoromethyl)-1-benzofuran (CID 155278197) is 3-tert-butyl-7-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 3-tert-butyl-7-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 3-tert-butyl-7-(trifluoromethyl)-1-benzofuran is CC(C)(C)c1coc2c(C(F)(F)F)cccc12.
What is the InChIKey of 3-tert-butyl-7-(trifluoromethyl)-1-benzofuran?
The InChIKey is JLGOQEBQPHZDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O/c1-12(2,3)10-7-17-11-8(10)5-4-6-9(11)13(14,15)16/h4-7H,1-3H3.
What are the key properties of 3-tert-butyl-7-(trifluoromethyl)-1-benzofuran?
3-tert-butyl-7-(trifluoromethyl)-1-benzofuran has a molecular weight of 242.24 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 155278197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).