2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene

C15H8Br3FS — CID 81104395

IUPAC2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene
SMILESFc1ccc2cc(C(Br)c3cc(Br)ccc3Br)sc2c1
InChIInChI=1S/C15H8Br3FS/c16-9-2-4-12(17)11(6-9)15(18)14-5-8-1-3-10(19)7-13(8)20-14/h1-7,15H
InChIKeyGVYVCBUGMCBYGU-UHFFFAOYSA-N
MW479.01 g/mol
LogP7.05
Rot. Bonds2

About 2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene

2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene (PubChem CID 81104395) has the molecular formula C15H8Br3FS and a molecular weight of 479.01 g/mol. Its IUPAC name is 2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene.

Molecular Properties

Compound Name2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene
PubChem CID81104395
Molecular FormulaC15H8Br3FS
Molecular Weight479.01 g/mol
Exact Mass475.79
IUPAC Name2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene
SMILESFc1ccc2cc(C(Br)c3cc(Br)ccc3Br)sc2c1
InChIInChI=1S/C15H8Br3FS/c16-9-2-4-12(17)11(6-9)15(18)14-5-8-1-3-10(19)7-13(8)20-14/h1-7,15H
InChIKeyGVYVCBUGMCBYGU-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.01
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104668
(5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 115820659
2-[bromo-(3-bromo-4-fluorophenyl)methyl]-6-fluoro-1-benzothiophene
CID 81105092
2-[(5-bromo-2-methoxyphenyl)-chloromethyl]-6-fluoro-1-benzothiophene
CID 81105626
(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104251
2-[bromo-(4-methylphenyl)methyl]-6-fluoro-1-benzothiophene
CID 81104328
1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene
CID 63437855
2-bromo-5-[bromo-(2-bromo-5-fluorophenyl)methyl]thiophene
CID 63444372
2-[bromo-(2-chloro-4-methoxyphenyl)methyl]-6-fluoro-1-benzothiophene
CID 81105658
2-(4-bromo-2-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 115844575
1,4-dibromo-2-[bromo-(4-fluorophenyl)methyl]benzene
CID 55198751
(3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 106945171

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene?
The IUPAC name of 2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene (CID 81104395) is 2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene.
What is the SMILES notation for 2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene?
The canonical SMILES for 2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene is Fc1ccc2cc(C(Br)c3cc(Br)ccc3Br)sc2c1.
What is the InChIKey of 2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene?
The InChIKey is GVYVCBUGMCBYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br3FS/c16-9-2-4-12(17)11(6-9)15(18)14-5-8-1-3-10(19)7-13(8)20-14/h1-7,15H.
What are the key properties of 2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene?
2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene has a molecular weight of 479.01 g/mol, XLogP of 7.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene is sourced from PubChem (CID 81104395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).