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

C11H5Br4FS — CID 63442594

IUPAC2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene
SMILESFc1cc(Br)ccc1C(Br)c1cc(Br)sc1Br
InChIInChI=1S/C11H5Br4FS/c12-5-1-2-6(8(16)3-5)10(14)7-4-9(13)17-11(7)15/h1-4,10H
InChIKeyROHAILQOMDEWMB-UHFFFAOYSA-N
MW507.84 g/mol
LogP6.66
Rot. Bonds2

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

2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene (PubChem CID 63442594) has the molecular formula C11H5Br4FS and a molecular weight of 507.84 g/mol. Its IUPAC name is 2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene
PubChem CID63442594
Molecular FormulaC11H5Br4FS
Molecular Weight507.84 g/mol
Exact Mass503.68
IUPAC Name2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene
SMILESFc1cc(Br)ccc1C(Br)c1cc(Br)sc1Br
InChIInChI=1S/C11H5Br4FS/c12-5-1-2-6(8(16)3-5)10(14)7-4-9(13)17-11(7)15/h1-4,10H
InChIKeyROHAILQOMDEWMB-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-bromo-2-(trifluoromethyl)phenyl]methyl]thiophene
CID 107333377
2,5-dibromo-3-[bromo-(3-bromo-4-fluorophenyl)methyl]thiophene
CID 107958798
4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
2,5-dibromo-3-[bromo-(4-chloro-3-fluorophenyl)methyl]thiophene
CID 107991759
2,5-dibromo-3-[bromo-(5-bromo-2-ethoxyphenyl)methyl]thiophene
CID 107964720
2,5-dibromo-3-[bromo-(5-fluoro-2-methoxyphenyl)methyl]thiophene
CID 107964679
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene
CID 102835926
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
CID 102836918
2,5-dibromo-3-[bromo-(2-bromo-4-methoxyphenyl)methyl]thiophene
CID 114021645
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene
CID 81474119
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene?
The IUPAC name of 2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene (CID 63442594) is 2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene?
The canonical SMILES for 2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene is Fc1cc(Br)ccc1C(Br)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene?
The InChIKey is ROHAILQOMDEWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br4FS/c12-5-1-2-6(8(16)3-5)10(14)7-4-9(13)17-11(7)15/h1-4,10H.
What are the key properties of 2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene?
2,5-dibromo-3-[bromo-(4-bromo-2-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-(4-bromo-2-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 63442594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).