2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene

C11H5Br2Cl2FS — CID 80533678

IUPAC2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene
SMILESFc1cc(Br)cc(C(Cl)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C11H5Br2Cl2FS/c12-6-1-5(2-7(16)3-6)10(15)9-4-8(14)11(13)17-9/h1-4,10H
InChIKeyJLZULQZCBBMROF-UHFFFAOYSA-N
MW418.94 g/mol
LogP6.39
Rot. Bonds2

About 2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene

2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene (PubChem CID 80533678) has the molecular formula C11H5Br2Cl2FS and a molecular weight of 418.94 g/mol. Its IUPAC name is 2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene.

Molecular Properties

Compound Name2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene
PubChem CID80533678
Molecular FormulaC11H5Br2Cl2FS
Molecular Weight418.94 g/mol
Exact Mass415.78
IUPAC Name2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene
SMILESFc1cc(Br)cc(C(Cl)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C11H5Br2Cl2FS/c12-6-1-5(2-7(16)3-6)10(15)9-4-8(14)11(13)17-9/h1-4,10H
InChIKeyJLZULQZCBBMROF-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.94
LogP ≤ 56.39
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-bromo-3-chloro-5-[chloro-(3-fluorophenyl)methyl]thiophene
CID 80533672
2-[(3-bromo-5-fluorophenyl)-chloromethyl]-5-methylthiophene
CID 63431013
2-[(3-bromo-5-fluorophenyl)-chloromethyl]-1,3,5-trifluorobenzene
CID 63430505
1-bromo-3-[chloro-(4-propan-2-ylphenyl)methyl]-5-fluorobenzene
CID 63434558
1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene
CID 63444025
2-bromo-3-chloro-5-[chloro-(3,4-dimethylphenyl)methyl]thiophene
CID 80533320
2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene
CID 80533343
2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene
CID 82816642
2,3-dibromo-5-[chloro-(4-fluorophenyl)methyl]thiophene
CID 80534336
2-[bromo-(3-bromo-5-fluorophenyl)methyl]-5-chlorothiophene
CID 63441337
1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene
CID 63430531
2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene
CID 107992049

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene?
The IUPAC name of 2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene (CID 80533678) is 2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene.
What is the SMILES notation for 2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene?
The canonical SMILES for 2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene is Fc1cc(Br)cc(C(Cl)c2cc(Cl)c(Br)s2)c1.
What is the InChIKey of 2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene?
The InChIKey is JLZULQZCBBMROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2Cl2FS/c12-6-1-5(2-7(16)3-6)10(15)9-4-8(14)11(13)17-9/h1-4,10H.
What are the key properties of 2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene?
2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene has a molecular weight of 418.94 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(3-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene is sourced from PubChem (CID 80533678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).