4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene

C11H7BrFIS — CID 79683828

IUPAC4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene
SMILESFc1ccc(C(Br)c2csc(I)c2)cc1
InChIInChI=1S/C11H7BrFIS/c12-11(8-5-10(14)15-6-8)7-1-3-9(13)4-2-7/h1-6,11H
InChIKeyAAHKFSZIZWHACX-UHFFFAOYSA-N
MW397.05 g/mol
LogP4.98
Rot. Bonds2

About 4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene

4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene (PubChem CID 79683828) has the molecular formula C11H7BrFIS and a molecular weight of 397.05 g/mol. Its IUPAC name is 4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene.

Molecular Properties

Compound Name4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene
PubChem CID79683828
Molecular FormulaC11H7BrFIS
Molecular Weight397.05 g/mol
Exact Mass395.85
IUPAC Name4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene
SMILESFc1ccc(C(Br)c2csc(I)c2)cc1
InChIInChI=1S/C11H7BrFIS/c12-11(8-5-10(14)15-6-8)7-1-3-9(13)4-2-7/h1-6,11H
InChIKeyAAHKFSZIZWHACX-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.05
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene?
The IUPAC name of 4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene (CID 79683828) is 4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene.
What is the SMILES notation for 4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene?
The canonical SMILES for 4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene is Fc1ccc(C(Br)c2csc(I)c2)cc1.
What is the InChIKey of 4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene?
The InChIKey is AAHKFSZIZWHACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFIS/c12-11(8-5-10(14)15-6-8)7-1-3-9(13)4-2-7/h1-6,11H.
What are the key properties of 4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene?
4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene has a molecular weight of 397.05 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(4-fluorophenyl)methyl]-2-iodothiophene is sourced from PubChem (CID 79683828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).