2-benzyl-3-(trifluoromethyl)-2H-pyrrole

C12H10F3N — CID 154447698

IUPAC2-benzyl-3-(trifluoromethyl)-2H-pyrrole
SMILESFC(F)(F)C1=CC=NC1Cc1ccccc1
InChIInChI=1S/C12H10F3N/c13-12(14,15)10-6-7-16-11(10)8-9-4-2-1-3-5-9/h1-7,11H,8H2
InChIKeyMTGUXZOANQMKNO-UHFFFAOYSA-N
MW225.21 g/mol
LogP3.17
Rot. Bonds2

About 2-benzyl-3-(trifluoromethyl)-2H-pyrrole

2-benzyl-3-(trifluoromethyl)-2H-pyrrole (PubChem CID 154447698) has the molecular formula C12H10F3N and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-benzyl-3-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name2-benzyl-3-(trifluoromethyl)-2H-pyrrole
PubChem CID154447698
Molecular FormulaC12H10F3N
Molecular Weight225.21 g/mol
Exact Mass225.08
IUPAC Name2-benzyl-3-(trifluoromethyl)-2H-pyrrole
SMILESFC(F)(F)C1=CC=NC1Cc1ccccc1
InChIInChI=1S/C12H10F3N/c13-12(14,15)10-6-7-16-11(10)8-9-4-2-1-3-5-9/h1-7,11H,8H2
InChIKeyMTGUXZOANQMKNO-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-phenyl-3,4-dihydro-2H-pyrrole
CID 261893
Phenethylamine, N-(2,2,3,3,4,4,4-heptafluorobutylidene)-
CID 563360
Phenethylamine, N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylidene)-
CID 564143
5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58335726
(R)-N-(2,2-Difluoroethylidene)-1-phenylethylamine
CID 2758283
4-benzyl-4H-imidazole
CID 20682296
4-(2-phenylethyl)-4H-imidazole
CID 146883172
N-benzyl-1,1,1-trifluoropropan-2-imine
CID 2760746
N-(2,2,2-Trifluoroethylidene)benzylamine
CID 10130274
N-[(S)-1-Phenylethyl]-2,2,2-trifluoroethane-1-imine
CID 10750577
5-(4-Fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 11147900
N-[(R)-alpha-Methylbenzyl]-2,2,2-trifluoroethaneimine
CID 68566087

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 2-benzyl-3-(trifluoromethyl)-2H-pyrrole (CID 154447698) is 2-benzyl-3-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 2-benzyl-3-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 2-benzyl-3-(trifluoromethyl)-2H-pyrrole is FC(F)(F)C1=CC=NC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-(trifluoromethyl)-2H-pyrrole?
The InChIKey is MTGUXZOANQMKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N/c13-12(14,15)10-6-7-16-11(10)8-9-4-2-1-3-5-9/h1-7,11H,8H2.
What are the key properties of 2-benzyl-3-(trifluoromethyl)-2H-pyrrole?
2-benzyl-3-(trifluoromethyl)-2H-pyrrole has a molecular weight of 225.21 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 154447698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).