2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone

C12H7ClFIOS — CID 103042731

IUPAC2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)c1csc(I)c1
InChIInChI=1S/C12H7ClFIOS/c13-9-3-7(1-2-10(9)14)4-11(16)8-5-12(15)17-6-8/h1-3,5-6H,4H2
InChIKeyGPKORJCFSKYEGG-UHFFFAOYSA-N
MW380.61 g/mol
LogP4.57
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone

2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone (PubChem CID 103042731) has the molecular formula C12H7ClFIOS and a molecular weight of 380.61 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
PubChem CID103042731
Molecular FormulaC12H7ClFIOS
Molecular Weight380.61 g/mol
Exact Mass379.89
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)c1csc(I)c1
InChIInChI=1S/C12H7ClFIOS/c13-9-3-7(1-2-10(9)14)4-11(16)8-5-12(15)17-6-8/h1-3,5-6H,4H2
InChIKeyGPKORJCFSKYEGG-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.61
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone
CID 103042866
N-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948526
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 114964088
2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 114967129
2-(3,4-dimethoxyphenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 79693880
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanone
CID 63093497
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103805205
2-(3-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 107967879
1-bromo-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 131189515
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone (CID 103042731) is 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone is O=C(Cc1ccc(F)c(Cl)c1)c1csc(I)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone?
The InChIKey is GPKORJCFSKYEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFIOS/c13-9-3-7(1-2-10(9)14)4-11(16)8-5-12(15)17-6-8/h1-3,5-6H,4H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone?
2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone has a molecular weight of 380.61 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone is sourced from PubChem (CID 103042731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).