2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene

C11H6Br3FS — CID 107964883

IUPAC2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Br)c2csc(Br)c2)cc1Br
InChIInChI=1S/C11H6Br3FS/c12-8-3-6(1-2-9(8)15)11(14)7-4-10(13)16-5-7/h1-5,11H
InChIKeyZGGWVLMFVADKPZ-UHFFFAOYSA-N
MW428.95 g/mol
LogP5.90
Rot. Bonds2

About 2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene

2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene (PubChem CID 107964883) has the molecular formula C11H6Br3FS and a molecular weight of 428.95 g/mol. Its IUPAC name is 2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene
PubChem CID107964883
Molecular FormulaC11H6Br3FS
Molecular Weight428.95 g/mol
Exact Mass425.77
IUPAC Name2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Br)c2csc(Br)c2)cc1Br
InChIInChI=1S/C11H6Br3FS/c12-8-3-6(1-2-9(8)15)11(14)7-4-10(13)16-5-7/h1-5,11H
InChIKeyZGGWVLMFVADKPZ-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.95
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene?
The IUPAC name of 2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene (CID 107964883) is 2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene?
The canonical SMILES for 2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene is Fc1ccc(C(Br)c2csc(Br)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene?
The InChIKey is ZGGWVLMFVADKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br3FS/c12-8-3-6(1-2-9(8)15)11(14)7-4-10(13)16-5-7/h1-5,11H.
What are the key properties of 2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene?
2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene has a molecular weight of 428.95 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 107964883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).