2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole

C14H10F3NS — CID 142649869

IUPAC2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2=NC(c3cccs3)CC2)c(F)c1F
InChIInChI=1S/C14H10F3NS/c15-9-4-3-8(13(16)14(9)17)10-5-6-11(18-10)12-2-1-7-19-12/h1-4,7,11H,5-6H2
InChIKeyVEZZBKJEBNHOKE-UHFFFAOYSA-N
MW281.30 g/mol
LogP4.49
Rot. Bonds2

About 2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole

2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 142649869) has the molecular formula C14H10F3NS and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID142649869
Molecular FormulaC14H10F3NS
Molecular Weight281.30 g/mol
Exact Mass281.05
IUPAC Name2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2=NC(c3cccs3)CC2)c(F)c1F
InChIInChI=1S/C14H10F3NS/c15-9-4-3-8(13(16)14(9)17)10-5-6-11(18-10)12-2-1-7-19-12/h1-4,7,11H,5-6H2
InChIKeyVEZZBKJEBNHOKE-UHFFFAOYSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole (CID 142649869) is 2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1ccc(C2=NC(c3cccs3)CC2)c(F)c1F.
What is the InChIKey of 2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is VEZZBKJEBNHOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NS/c15-9-4-3-8(13(16)14(9)17)10-5-6-11(18-10)12-2-1-7-19-12/h1-4,7,11H,5-6H2.
What are the key properties of 2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole?
2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 281.30 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-5-(2,3,4-trifluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 142649869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).