4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole

C8H10F3N — CID 118188276

IUPAC4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole
SMILESCC(C)C1=CCN=C1C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-5(2)6-3-4-12-7(6)8(9,10)11/h3,5H,4H2,1-2H3
InChIKeyVNMPKSHUXODTKF-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.59
Rot. Bonds1

About 4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole

4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole (PubChem CID 118188276) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole
PubChem CID118188276
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole
SMILESCC(C)C1=CCN=C1C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-5(2)6-3-4-12-7(6)8(9,10)11/h3,5H,4H2,1-2H3
InChIKeyVNMPKSHUXODTKF-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole (CID 118188276) is 4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole is CC(C)C1=CCN=C1C(F)(F)F.
What is the InChIKey of 4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole?
The InChIKey is VNMPKSHUXODTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-5(2)6-3-4-12-7(6)8(9,10)11/h3,5H,4H2,1-2H3.
What are the key properties of 4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole?
4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole has a molecular weight of 177.17 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 118188276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).