2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone

C12H7F2IOS — CID 114964088

IUPAC2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
SMILESO=C(Cc1cc(F)ccc1F)c1csc(I)c1
InChIInChI=1S/C12H7F2IOS/c13-9-1-2-10(14)7(3-9)4-11(16)8-5-12(15)17-6-8/h1-3,5-6H,4H2
InChIKeyJNFCODZOMRSQAI-UHFFFAOYSA-N
MW364.15 g/mol
LogP4.06
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone

2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone (PubChem CID 114964088) has the molecular formula C12H7F2IOS and a molecular weight of 364.15 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
PubChem CID114964088
Molecular FormulaC12H7F2IOS
Molecular Weight364.15 g/mol
Exact Mass363.92
IUPAC Name2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
SMILESO=C(Cc1cc(F)ccc1F)c1csc(I)c1
InChIInChI=1S/C12H7F2IOS/c13-9-1-2-10(14)7(3-9)4-11(16)8-5-12(15)17-6-8/h1-3,5-6H,4H2
InChIKeyJNFCODZOMRSQAI-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.15
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 114967129
2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 103042731
1-(2-bromo-5-iodophenyl)-2-(2,5-difluorophenyl)ethanone
CID 114026781
2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone
CID 105082380
N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948922
2-(3,4-dimethoxyphenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 79693880
2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736591
(2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone
CID 114972960
N-[(4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948423
2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 115736561
2-(2,5-difluorophenyl)acetate
CID 6951702
2-(2,5-difluorophenyl)acetamide
CID 21245498

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone (CID 114964088) is 2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone is O=C(Cc1cc(F)ccc1F)c1csc(I)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone?
The InChIKey is JNFCODZOMRSQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2IOS/c13-9-1-2-10(14)7(3-9)4-11(16)8-5-12(15)17-6-8/h1-3,5-6H,4H2.
What are the key properties of 2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone?
2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone has a molecular weight of 364.15 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone is sourced from PubChem (CID 114964088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).