7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene

C15H9Br2FS — CID 81147103

IUPAC7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene
SMILESFc1ccccc1C(Br)c1csc2c(Br)cccc12
InChIInChI=1S/C15H9Br2FS/c16-12-6-3-5-9-11(8-19-15(9)12)14(17)10-4-1-2-7-13(10)18/h1-8,14H
InChIKeyMEEAUJIJMVMKOL-UHFFFAOYSA-N
MW400.11 g/mol
LogP6.29
Rot. Bonds2

About 7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene

7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene (PubChem CID 81147103) has the molecular formula C15H9Br2FS and a molecular weight of 400.11 g/mol. Its IUPAC name is 7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene
PubChem CID81147103
Molecular FormulaC15H9Br2FS
Molecular Weight400.11 g/mol
Exact Mass397.88
IUPAC Name7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene
SMILESFc1ccccc1C(Br)c1csc2c(Br)cccc12
InChIInChI=1S/C15H9Br2FS/c16-12-6-3-5-9-11(8-19-15(9)12)14(17)10-4-1-2-7-13(10)18/h1-8,14H
InChIKeyMEEAUJIJMVMKOL-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.11
LogP ≤ 56.29
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

7-bromo-3-[bromo-(2-fluoro-5-methylphenyl)methyl]-1-benzothiophene
CID 81147736
7-bromo-3-[1-bromo-2-(2-fluorophenyl)ethyl]-1-benzothiophene
CID 81147108
(7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol
CID 81153735
7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene
CID 81147356
(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol
CID 81154055
7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene
CID 114021677
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 22565374
7-bromo-3-[bromo-(3-chlorothiophen-2-yl)methyl]-1-benzothiophene
CID 81148280
1-(7-bromo-1-benzothiophen-3-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 81133130
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol
CID 81153432
7-bromo-3-[chloro-(2,4,6-trifluorophenyl)methyl]-1-benzothiophene
CID 81129145
7-bromo-3-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-benzothiophene
CID 81477216

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene?
The IUPAC name of 7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene (CID 81147103) is 7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene.
What is the SMILES notation for 7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene?
The canonical SMILES for 7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene is Fc1ccccc1C(Br)c1csc2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene?
The InChIKey is MEEAUJIJMVMKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2FS/c16-12-6-3-5-9-11(8-19-15(9)12)14(17)10-4-1-2-7-13(10)18/h1-8,14H.
What are the key properties of 7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene?
7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene has a molecular weight of 400.11 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene is sourced from PubChem (CID 81147103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).