2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole

C8H10F3N — CID 146985208

IUPAC2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole
SMILESCCC1N=C(C(F)(F)F)C=C1C
InChIInChI=1S/C8H10F3N/c1-3-6-5(2)4-7(12-6)8(9,10)11/h4,6H,3H2,1-2H3
InChIKeyAPCHVWJRRITKTE-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.73
Rot. Bonds1

About 2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole

2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole (PubChem CID 146985208) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole
PubChem CID146985208
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole
SMILESCCC1N=C(C(F)(F)F)C=C1C
InChIInChI=1S/C8H10F3N/c1-3-6-5(2)4-7(12-6)8(9,10)11/h4,6H,3H2,1-2H3
InChIKeyAPCHVWJRRITKTE-UHFFFAOYSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole (CID 146985208) is 2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole is CCC1N=C(C(F)(F)F)C=C1C.
What is the InChIKey of 2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole?
The InChIKey is APCHVWJRRITKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-6-5(2)4-7(12-6)8(9,10)11/h4,6H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole?
2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole has a molecular weight of 177.17 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-5-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 146985208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).