[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone

C15H13FINO2S — CID 78950100

IUPAC[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H13FINO2S/c16-12-3-1-10(2-4-12)13-8-18(5-6-20-13)15(19)11-7-14(17)21-9-11/h1-4,7,9,13H,5-6,8H2
InChIKeyZGNUSDYRMZMBSI-UHFFFAOYSA-N
MW417.24 g/mol
LogP3.71
Rot. Bonds2

About [2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone

[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone (PubChem CID 78950100) has the molecular formula C15H13FINO2S and a molecular weight of 417.24 g/mol. Its IUPAC name is [2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone
PubChem CID78950100
Molecular FormulaC15H13FINO2S
Molecular Weight417.24 g/mol
Exact Mass416.97
IUPAC Name[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H13FINO2S/c16-12-3-1-10(2-4-12)13-8-18(5-6-20-13)15(19)11-7-14(17)21-9-11/h1-4,7,9,13H,5-6,8H2
InChIKeyZGNUSDYRMZMBSI-UHFFFAOYSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.24
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)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-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone (CID 78950100) is [2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of [2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone?
The InChIKey is ZGNUSDYRMZMBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FINO2S/c16-12-3-1-10(2-4-12)13-8-18(5-6-20-13)15(19)11-7-14(17)21-9-11/h1-4,7,9,13H,5-6,8H2.
What are the key properties of [2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone?
[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone has a molecular weight of 417.24 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 78950100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).