[2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

C15H14FNOS — CID 50747041

IUPAC[2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c16-12-7-5-11(6-8-12)13-3-1-9-17(13)15(18)14-4-2-10-19-14/h2,4-8,10,13H,1,3,9H2
InChIKeyPNEGBVDEBJJQHU-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.86
Rot. Bonds2

About [2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

[2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 50747041) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is [2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID50747041
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c16-12-7-5-11(6-8-12)13-3-1-9-17(13)15(18)14-4-2-10-19-14/h2,4-8,10,13H,1,3,9H2
InChIKeyPNEGBVDEBJJQHU-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone 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 [2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 50747041) is [2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is PNEGBVDEBJJQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c16-12-7-5-11(6-8-12)13-3-1-9-17(13)15(18)14-4-2-10-19-14/h2,4-8,10,13H,1,3,9H2.
What are the key properties of [2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
[2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 275.35 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 50747041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).