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

C11H5Br3ClFS — CID 107991759

IUPAC2,5-dibromo-3-[bromo-(4-chloro-3-fluorophenyl)methyl]thiophene
SMILESFc1cc(C(Br)c2cc(Br)sc2Br)ccc1Cl
InChIInChI=1S/C11H5Br3ClFS/c12-9-4-6(11(14)17-9)10(13)5-1-2-7(15)8(16)3-5/h1-4,10H
InChIKeyKELGIFYYWLCYLW-UHFFFAOYSA-N
MW463.39 g/mol
LogP6.55
Rot. Bonds2

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

2,5-dibromo-3-[bromo-(4-chloro-3-fluorophenyl)methyl]thiophene (PubChem CID 107991759) has the molecular formula C11H5Br3ClFS and a molecular weight of 463.39 g/mol. Its IUPAC name is 2,5-dibromo-3-[bromo-(4-chloro-3-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-[bromo-(4-chloro-3-fluorophenyl)methyl]thiophene
PubChem CID107991759
Molecular FormulaC11H5Br3ClFS
Molecular Weight463.39 g/mol
Exact Mass459.73
IUPAC Name2,5-dibromo-3-[bromo-(4-chloro-3-fluorophenyl)methyl]thiophene
SMILESFc1cc(C(Br)c2cc(Br)sc2Br)ccc1Cl
InChIInChI=1S/C11H5Br3ClFS/c12-9-4-6(11(14)17-9)10(13)5-1-2-7(15)8(16)3-5/h1-4,10H
InChIKeyKELGIFYYWLCYLW-UHFFFAOYSA-N
XLogP6.55
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 ≤ 56.55
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-(3-bromo-4-fluorophenyl)methyl]thiophene
CID 107958798
2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene
CID 107992049
4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 107991747
2,5-dibromo-3-[bromo-(3-bromo-4-methylphenyl)methyl]thiophene
CID 81475828
2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene
CID 63442594
2,5-dibromo-3-[bromo-(4-ethoxyphenyl)methyl]thiophene
CID 63442944
3-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107991664
1-bromo-4-[bromo-(4-chloro-3-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 107992249
2,5-dibromo-3-[bromo-(2-chloro-4,5-dimethylphenyl)methyl]thiophene
CID 114021686
(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine
CID 43345039
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-(4-chloro-3-fluorophenyl)methyl]thiophene?
The IUPAC name of 2,5-dibromo-3-[bromo-(4-chloro-3-fluorophenyl)methyl]thiophene (CID 107991759) is 2,5-dibromo-3-[bromo-(4-chloro-3-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 2,5-dibromo-3-[bromo-(4-chloro-3-fluorophenyl)methyl]thiophene?
The canonical SMILES for 2,5-dibromo-3-[bromo-(4-chloro-3-fluorophenyl)methyl]thiophene is Fc1cc(C(Br)c2cc(Br)sc2Br)ccc1Cl.
What is the InChIKey of 2,5-dibromo-3-[bromo-(4-chloro-3-fluorophenyl)methyl]thiophene?
The InChIKey is KELGIFYYWLCYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br3ClFS/c12-9-4-6(11(14)17-9)10(13)5-1-2-7(15)8(16)3-5/h1-4,10H.
What are the key properties of 2,5-dibromo-3-[bromo-(4-chloro-3-fluorophenyl)methyl]thiophene?
2,5-dibromo-3-[bromo-(4-chloro-3-fluorophenyl)methyl]thiophene has a molecular weight of 463.39 g/mol, XLogP of 6.55, 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-chloro-3-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 107991759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).