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

C14H12FNS — CID 21350348

IUPAC2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2CCC(c3cccs3)=N2)cc1
InChIInChI=1S/C14H12FNS/c15-11-5-3-10(4-6-11)12-7-8-13(16-12)14-2-1-9-17-14/h1-6,9,12H,7-8H2
InChIKeyKFUDTQBVSQLAJU-UHFFFAOYSA-N
MW245.32 g/mol
LogP4.21
Rot. Bonds2

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

2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole (PubChem CID 21350348) has the molecular formula C14H12FNS and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole
PubChem CID21350348
Molecular FormulaC14H12FNS
Molecular Weight245.32 g/mol
Exact Mass245.07
IUPAC Name2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2CCC(c3cccs3)=N2)cc1
InChIInChI=1S/C14H12FNS/c15-11-5-3-10(4-6-11)12-7-8-13(16-12)14-2-1-9-17-14/h1-6,9,12H,7-8H2
InChIKeyKFUDTQBVSQLAJU-UHFFFAOYSA-N
XLogP4.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole (CID 21350348) is 2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole is Fc1ccc(C2CCC(c3cccs3)=N2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole?
The InChIKey is KFUDTQBVSQLAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNS/c15-11-5-3-10(4-6-11)12-7-8-13(16-12)14-2-1-9-17-14/h1-6,9,12H,7-8H2.
What are the key properties of 2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole?
2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 245.32 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 21350348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).