2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole

C7H8F3N — CID 89393939

IUPAC2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole
SMILESCC1=NC(C(F)(F)F)=C(C)C1
InChIInChI=1S/C7H8F3N/c1-4-3-5(2)11-6(4)7(8,9)10/h3H2,1-2H3
InChIKeyMCCLZELPLLWZBI-UHFFFAOYSA-N
MW163.14 g/mol
LogP2.69
Rot. Bonds

About 2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole

2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole (PubChem CID 89393939) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole.

Molecular Properties

Compound Name2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole
PubChem CID89393939
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole
SMILESCC1=NC(C(F)(F)F)=C(C)C1
InChIInChI=1S/C7H8F3N/c1-4-3-5(2)11-6(4)7(8,9)10/h3H2,1-2H3
InChIKeyMCCLZELPLLWZBI-UHFFFAOYSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole?
The IUPAC name of 2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole (CID 89393939) is 2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole.
What is the SMILES notation for 2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole?
The canonical SMILES for 2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole is CC1=NC(C(F)(F)F)=C(C)C1.
What is the InChIKey of 2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole?
The InChIKey is MCCLZELPLLWZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-4-3-5(2)11-6(4)7(8,9)10/h3H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole?
2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole has a molecular weight of 163.14 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole is sourced from PubChem (CID 89393939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).