2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone

C12H7BrFIOS — CID 114967129

IUPAC2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
SMILESO=C(Cc1cc(Br)ccc1F)c1csc(I)c1
InChIInChI=1S/C12H7BrFIOS/c13-9-1-2-10(14)7(3-9)4-11(16)8-5-12(15)17-6-8/h1-3,5-6H,4H2
InChIKeyWPYJPBACQALBJZ-UHFFFAOYSA-N
MW425.06 g/mol
LogP4.68
Rot. Bonds3

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

2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone (PubChem CID 114967129) has the molecular formula C12H7BrFIOS and a molecular weight of 425.06 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
PubChem CID114967129
Molecular FormulaC12H7BrFIOS
Molecular Weight425.06 g/mol
Exact Mass423.84
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
SMILESO=C(Cc1cc(Br)ccc1F)c1csc(I)c1
InChIInChI=1S/C12H7BrFIOS/c13-9-1-2-10(14)7(3-9)4-11(16)8-5-12(15)17-6-8/h1-3,5-6H,4H2
InChIKeyWPYJPBACQALBJZ-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.06
LogP ≤ 54.68
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-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 114964088
N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948922
(5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone
CID 115784588
2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 103042731
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 66423629
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 55186206
1-(5-bromothiophen-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 105135631
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-isoindol-5-yl)ethanone
CID 116613117
2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114967032
2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106690925
1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047928

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone (CID 114967129) is 2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone is O=C(Cc1cc(Br)ccc1F)c1csc(I)c1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone?
The InChIKey is WPYJPBACQALBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFIOS/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-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone?
2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone has a molecular weight of 425.06 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone is sourced from PubChem (CID 114967129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).