2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene

C11H5Br3ClFS — CID 55198527

IUPAC2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene
SMILESFc1ccc(Br)cc1C(Cl)c1cc(Br)sc1Br
InChIInChI=1S/C11H5Br3ClFS/c12-5-1-2-8(16)6(3-5)10(15)7-4-9(13)17-11(7)14/h1-4,10H
InChIKeySLLVEFNDHVEHNL-UHFFFAOYSA-N
MW463.39 g/mol
LogP6.50
Rot. Bonds2

About 2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene

2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene (PubChem CID 55198527) has the molecular formula C11H5Br3ClFS and a molecular weight of 463.39 g/mol. Its IUPAC name is 2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene
PubChem CID55198527
Molecular FormulaC11H5Br3ClFS
Molecular Weight463.39 g/mol
Exact Mass459.73
IUPAC Name2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene
SMILESFc1ccc(Br)cc1C(Cl)c1cc(Br)sc1Br
InChIInChI=1S/C11H5Br3ClFS/c12-5-1-2-8(16)6(3-5)10(15)7-4-9(13)17-11(7)14/h1-4,10H
InChIKeySLLVEFNDHVEHNL-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.39
LogP ≤ 56.50
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 2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene?
The IUPAC name of 2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene (CID 55198527) is 2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene.
What is the SMILES notation for 2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene?
The canonical SMILES for 2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene is Fc1ccc(Br)cc1C(Cl)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene?
The InChIKey is SLLVEFNDHVEHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br3ClFS/c12-5-1-2-8(16)6(3-5)10(15)7-4-9(13)17-11(7)14/h1-4,10H.
What are the key properties of 2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene?
2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene has a molecular weight of 463.39 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-[(5-bromo-2-fluorophenyl)-chloromethyl]thiophene is sourced from PubChem (CID 55198527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).