2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole

C8H10F3N — CID 2315427

IUPAC2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole
SMILESCc1ccc(C)n1CC(F)(F)F
InChIInChI=1S/C8H10F3N/c1-6-3-4-7(2)12(6)5-8(9,10)11/h3-4H,5H2,1-2H3
InChIKeyMJVDWHZTOATXLC-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.67
Rot. Bonds1

About 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole

2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole (PubChem CID 2315427) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole
PubChem CID2315427
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole
SMILESCc1ccc(C)n1CC(F)(F)F
InChIInChI=1S/C8H10F3N/c1-6-3-4-7(2)12(6)5-8(9,10)11/h3-4H,5H2,1-2H3
InChIKeyMJVDWHZTOATXLC-UHFFFAOYSA-N
XLogP2.67
TPSA4.93 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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole?
The IUPAC name of 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole (CID 2315427) is 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole?
The canonical SMILES for 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole is Cc1ccc(C)n1CC(F)(F)F.
What is the InChIKey of 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole?
The InChIKey is MJVDWHZTOATXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-6-3-4-7(2)12(6)5-8(9,10)11/h3-4H,5H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole?
2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole has a molecular weight of 177.17 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole is sourced from PubChem (CID 2315427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).