6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran

C12H11F3O2 — CID 166609371

IUPAC6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran
SMILESCC(C)Oc1ccc2c(C(F)(F)F)coc2c1
InChIInChI=1S/C12H11F3O2/c1-7(2)17-8-3-4-9-10(12(13,14)15)6-16-11(9)5-8/h3-7H,1-2H3
InChIKeyYHLYBCJCJHRASH-UHFFFAOYSA-N
MW244.21 g/mol
LogP4.24
Rot. Bonds2

About 6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran

6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran (PubChem CID 166609371) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran
PubChem CID166609371
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran
SMILESCC(C)Oc1ccc2c(C(F)(F)F)coc2c1
InChIInChI=1S/C12H11F3O2/c1-7(2)17-8-3-4-9-10(12(13,14)15)6-16-11(9)5-8/h3-7H,1-2H3
InChIKeyYHLYBCJCJHRASH-UHFFFAOYSA-N
XLogP4.24
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(trifluoromethyl)-1-benzofuran-6-carboxylate
CID 166609325
1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene
CID 175665810
(2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide
CID 2492080
2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine
CID 117121751
2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134054992
6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran
CID 166609344
5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid
CID 166609347
7-methoxy-4-(trifluoromethyl)chromen-2-one
CID 688586
(3-acetyloxy-1-benzofuran-6-yl) acetate
CID 3787261
5-bromo-3-(trifluoromethyl)-1-benzofuran
CID 71669158
[2-oxo-4,7-di(propan-2-yloxy)chromen-3-yl] acetate
CID 19929402
7-(trifluoromethyl)furo[2,3-f][1,3]benzodioxole
CID 166609361

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran (CID 166609371) is 6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran is CC(C)Oc1ccc2c(C(F)(F)F)coc2c1.
What is the InChIKey of 6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran?
The InChIKey is YHLYBCJCJHRASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2/c1-7(2)17-8-3-4-9-10(12(13,14)15)6-16-11(9)5-8/h3-7H,1-2H3.
What are the key properties of 6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran?
6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran has a molecular weight of 244.21 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 166609371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).