5-tert-butyl-2-(trifluoromethyl)-1-benzofuran

C13H13F3O — CID 171548664

IUPAC5-tert-butyl-2-(trifluoromethyl)-1-benzofuran
SMILESCC(C)(C)c1ccc2oc(C(F)(F)F)cc2c1
InChIInChI=1S/C13H13F3O/c1-12(2,3)9-4-5-10-8(6-9)7-11(17-10)13(14,15)16/h4-7H,1-3H3
InChIKeySJUYIHGBINLTTB-UHFFFAOYSA-N
MW242.24 g/mol
LogP4.75
Rot. Bonds

About 5-tert-butyl-2-(trifluoromethyl)-1-benzofuran

5-tert-butyl-2-(trifluoromethyl)-1-benzofuran (PubChem CID 171548664) has the molecular formula C13H13F3O and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-tert-butyl-2-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name5-tert-butyl-2-(trifluoromethyl)-1-benzofuran
PubChem CID171548664
Molecular FormulaC13H13F3O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name5-tert-butyl-2-(trifluoromethyl)-1-benzofuran
SMILESCC(C)(C)c1ccc2oc(C(F)(F)F)cc2c1
InChIInChI=1S/C13H13F3O/c1-12(2,3)9-4-5-10-8(6-9)7-11(17-10)13(14,15)16/h4-7H,1-3H3
InChIKeySJUYIHGBINLTTB-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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Related Compounds

5-tert-butyl-2-(5-tert-butyl-1-benzofuran-2-yl)-1-benzofuran
CID 102492573
N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine
CID 117364183
2-tert-butyl-1-benzofuran-5-amine
CID 123538577
2-(1,1-difluoroethyl)-1-benzofuran-5-ol
CID 84668029
5-tert-butyl-2-(chloromethyl)-1-benzofuran
CID 46398310
(5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine
CID 65438710
6-tert-butylchromen-2-one
CID 11171674
N-[(5-tert-butyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65439011
2,8-ditert-butyldibenzofuran
CID 14914466
6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene
CID 58410849
1-(5-tert-butyl-1-benzofuran-2-yl)piperazine
CID 164933841
1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol
CID 114722950

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 5-tert-butyl-2-(trifluoromethyl)-1-benzofuran (CID 171548664) is 5-tert-butyl-2-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 5-tert-butyl-2-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 5-tert-butyl-2-(trifluoromethyl)-1-benzofuran is CC(C)(C)c1ccc2oc(C(F)(F)F)cc2c1.
What is the InChIKey of 5-tert-butyl-2-(trifluoromethyl)-1-benzofuran?
The InChIKey is SJUYIHGBINLTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O/c1-12(2,3)9-4-5-10-8(6-9)7-11(17-10)13(14,15)16/h4-7H,1-3H3.
What are the key properties of 5-tert-butyl-2-(trifluoromethyl)-1-benzofuran?
5-tert-butyl-2-(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 5-tert-butyl-2-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 171548664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).