[2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone

C19H19F3N2O3 — CID 42934439

IUPAC[2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2ccc(OCC(F)(F)F)nc2)cc1
InChIInChI=1S/C19H19F3N2O3/c1-26-15-7-4-13(5-8-15)16-3-2-10-24(16)18(25)14-6-9-17(23-11-14)27-12-19(20,21)22/h4-9,11,16H,2-3,10,12H2,1H3
InChIKeyAUIJMYULRJSZNE-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.01
Rot. Bonds5

About [2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone

[2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone (PubChem CID 42934439) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
PubChem CID42934439
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name[2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2ccc(OCC(F)(F)F)nc2)cc1
InChIInChI=1S/C19H19F3N2O3/c1-26-15-7-4-13(5-8-15)16-3-2-10-24(16)18(25)14-6-9-17(23-11-14)27-12-19(20,21)22/h4-9,11,16H,2-3,10,12H2,1H3
InChIKeyAUIJMYULRJSZNE-UHFFFAOYSA-N
XLogP4.01
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone 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-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
The IUPAC name of [2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone (CID 42934439) is [2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
The canonical SMILES for [2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone is COc1ccc(C2CCCN2C(=O)c2ccc(OCC(F)(F)F)nc2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
The InChIKey is AUIJMYULRJSZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-26-15-7-4-13(5-8-15)16-3-2-10-24(16)18(25)14-6-9-17(23-11-14)27-12-19(20,21)22/h4-9,11,16H,2-3,10,12H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone has a molecular weight of 380.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 42934439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).