2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene

C11H5Br4FS — CID 107958798

IUPAC2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Br)c2cc(Br)sc2Br)cc1Br
InChIInChI=1S/C11H5Br4FS/c12-7-3-5(1-2-8(7)16)10(14)6-4-9(13)17-11(6)15/h1-4,10H
InChIKeyCAFZAAWDVWSMJK-UHFFFAOYSA-N
MW507.84 g/mol
LogP6.66
Rot. Bonds2

About 2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene

2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene (PubChem CID 107958798) has the molecular formula C11H5Br4FS and a molecular weight of 507.84 g/mol. Its IUPAC name is 2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene
PubChem CID107958798
Molecular FormulaC11H5Br4FS
Molecular Weight507.84 g/mol
Exact Mass503.68
IUPAC Name2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Br)c2cc(Br)sc2Br)cc1Br
InChIInChI=1S/C11H5Br4FS/c12-7-3-5(1-2-8(7)16)10(14)6-4-9(13)17-11(6)15/h1-4,10H
InChIKeyCAFZAAWDVWSMJK-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.84
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-3-[bromo-(4-chloro-3-fluorophenyl)methyl]thiophene
CID 107991759
2,5-dibromo-3-[bromo-(3-bromo-4-methylphenyl)methyl]thiophene
CID 81475828
N-[(3-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107950429
2-bromo-4-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene
CID 107964883
2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene
CID 63442594
3-[bromo-(3-bromo-4-fluorophenyl)methyl]-4-methylthiophene
CID 79808350
2-bromo-5-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-methylthiophene
CID 79996585
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461691
1-bromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chlorobenzene
CID 113403107
2,5-dibromo-3-[bromo-(4-ethoxyphenyl)methyl]thiophene
CID 63442944
2,5-dibromo-3-[bromo-(4-methylsulfonylphenyl)methyl]thiophene
CID 61098377
5-[bromo-(2,5-dibromothiophen-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 107964768

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene?
The IUPAC name of 2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene (CID 107958798) is 2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene?
The canonical SMILES for 2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene is Fc1ccc(C(Br)c2cc(Br)sc2Br)cc1Br.
What is the InChIKey of 2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene?
The InChIKey is CAFZAAWDVWSMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br4FS/c12-7-3-5(1-2-8(7)16)10(14)6-4-9(13)17-11(6)15/h1-4,10H.
What are the key properties of 2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene?
2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene has a molecular weight of 507.84 g/mol, XLogP of 6.66, 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-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 107958798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).