2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran

C11H9F3O — CID 175141067

IUPAC2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran
SMILESCc1oc2ccccc2c1CC(F)(F)F
InChIInChI=1S/C11H9F3O/c1-7-9(6-11(12,13)14)8-4-2-3-5-10(8)15-7/h2-5H,6H2,1H3
InChIKeyRMYOUUOCJJNDFD-UHFFFAOYSA-N
MW214.19 g/mol
LogP3.85
Rot. Bonds1

About 2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran

2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran (PubChem CID 175141067) has the molecular formula C11H9F3O and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran.

Molecular Properties

Compound Name2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran
PubChem CID175141067
Molecular FormulaC11H9F3O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran
SMILESCc1oc2ccccc2c1CC(F)(F)F
InChIInChI=1S/C11H9F3O/c1-7-9(6-11(12,13)14)8-4-2-3-5-10(8)15-7/h2-5H,6H2,1H3
InChIKeyRMYOUUOCJJNDFD-UHFFFAOYSA-N
XLogP3.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3-(2-methyl-1-benzofuran-3-yl)propanoic acid
CID 116987382
2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 113462728
2-(2-methyl-1-benzofuran-3-yl)acetyl chloride
CID 142975043
3-(2-methyl-1-benzofuran-3-yl)propanenitrile
CID 116987391
2-methyl-3-(trifluoromethyl)chromen-4-one
CID 175746490
3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 115907355
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
2-(2,2,2-trifluoroethyl)xanthen-9-one
CID 155571799
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
4,4,4-trifluoro-3-[[[2-(2-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]butanoic acid
CID 167869160
[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol
CID 107230098
4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol
CID 103859112

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran?
The IUPAC name of 2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran (CID 175141067) is 2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran.
What is the SMILES notation for 2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran?
The canonical SMILES for 2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran is Cc1oc2ccccc2c1CC(F)(F)F.
What is the InChIKey of 2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran?
The InChIKey is RMYOUUOCJJNDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O/c1-7-9(6-11(12,13)14)8-4-2-3-5-10(8)15-7/h2-5H,6H2,1H3.
What are the key properties of 2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran?
2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran has a molecular weight of 214.19 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,2-trifluoroethyl)-1-benzofuran is sourced from PubChem (CID 175141067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).