3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole

C12H10F3N — CID 174894195

IUPAC3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole
SMILESFC(F)(F)Cn1ccc(-c2ccccc2)c1
InChIInChI=1S/C12H10F3N/c13-12(14,15)9-16-7-6-11(8-16)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyUUFKGCKJZLBCIP-UHFFFAOYSA-N
MW225.21 g/mol
LogP3.72
Rot. Bonds2

About 3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole

3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole (PubChem CID 174894195) has the molecular formula C12H10F3N and a molecular weight of 225.21 g/mol. Its IUPAC name is 3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole.

Molecular Properties

Compound Name3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole
PubChem CID174894195
Molecular FormulaC12H10F3N
Molecular Weight225.21 g/mol
Exact Mass225.08
IUPAC Name3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole
SMILESFC(F)(F)Cn1ccc(-c2ccccc2)c1
InChIInChI=1S/C12H10F3N/c13-12(14,15)9-16-7-6-11(8-16)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyUUFKGCKJZLBCIP-UHFFFAOYSA-N
XLogP3.72
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-phenyl-1-(2,2,2-trifluoroethyl)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 3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole?
The IUPAC name of 3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole (CID 174894195) is 3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole.
What is the SMILES notation for 3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole?
The canonical SMILES for 3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole is FC(F)(F)Cn1ccc(-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole?
The InChIKey is UUFKGCKJZLBCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N/c13-12(14,15)9-16-7-6-11(8-16)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole?
3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole has a molecular weight of 225.21 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2,2,2-trifluoroethyl)pyrrole is sourced from PubChem (CID 174894195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).