N-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide

C13H14F3NO2 — CID 11086927

IUPACN-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide
SMILESCCC1(NC(=O)C(F)(F)F)Oc2ccccc2C1C
InChIInChI=1S/C13H14F3NO2/c1-3-12(17-11(18)13(14,15)16)8(2)9-6-4-5-7-10(9)19-12/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyAXSLDZQLQQDYLU-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.97
Rot. Bonds2

About N-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide

N-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 11086927) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide
PubChem CID11086927
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC NameN-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide
SMILESCCC1(NC(=O)C(F)(F)F)Oc2ccccc2C1C
InChIInChI=1S/C13H14F3NO2/c1-3-12(17-11(18)13(14,15)16)8(2)9-6-4-5-7-10(9)19-12/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyAXSLDZQLQQDYLU-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide (CID 11086927) is N-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide is CCC1(NC(=O)C(F)(F)F)Oc2ccccc2C1C.
What is the InChIKey of N-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is AXSLDZQLQQDYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-3-12(17-11(18)13(14,15)16)8(2)9-6-4-5-7-10(9)19-12/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide?
N-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 273.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-methyl-3H-1-benzofuran-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11086927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).