5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene

C14H9Br2FOS2 — CID 103396524

IUPAC5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene
SMILESCOc1cc(F)c(Br)cc1C(Br)c1cc2sccc2s1
InChIInChI=1S/C14H9Br2FOS2/c1-18-10-5-9(17)8(15)4-7(10)14(16)13-6-12-11(20-13)2-3-19-12/h2-6,14H,1H3
InChIKeyINDADLMSCJBFPY-UHFFFAOYSA-N
MW436.17 g/mol
LogP6.36
Rot. Bonds3

About 5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene

5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene (PubChem CID 103396524) has the molecular formula C14H9Br2FOS2 and a molecular weight of 436.17 g/mol. Its IUPAC name is 5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene
PubChem CID103396524
Molecular FormulaC14H9Br2FOS2
Molecular Weight436.17 g/mol
Exact Mass433.84
IUPAC Name5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene
SMILESCOc1cc(F)c(Br)cc1C(Br)c1cc2sccc2s1
InChIInChI=1S/C14H9Br2FOS2/c1-18-10-5-9(17)8(15)4-7(10)14(16)13-6-12-11(20-13)2-3-19-12/h2-6,14H,1H3
InChIKeyINDADLMSCJBFPY-UHFFFAOYSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.17
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[bromo-(3,4-dimethoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 80745040
5-[bromo-(2-chloro-4-methoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 80745326
5-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene
CID 105057143
5-[bromo-(2-chloro-4,5-difluorophenyl)methyl]thieno[3,2-b]thiophene
CID 107477680
1-bromo-5-[bromo-(2,6-difluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396481
(5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol
CID 103396042
1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396388
1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 107992301
1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396584
5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene
CID 80745520
(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80744859
1-bromo-5-[bromo-(5-chloro-2-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396538

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene?
The IUPAC name of 5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene (CID 103396524) is 5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene.
What is the SMILES notation for 5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene?
The canonical SMILES for 5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene is COc1cc(F)c(Br)cc1C(Br)c1cc2sccc2s1.
What is the InChIKey of 5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene?
The InChIKey is INDADLMSCJBFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2FOS2/c1-18-10-5-9(17)8(15)4-7(10)14(16)13-6-12-11(20-13)2-3-19-12/h2-6,14H,1H3.
What are the key properties of 5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene?
5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene has a molecular weight of 436.17 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]thieno[3,2-b]thiophene is sourced from PubChem (CID 103396524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).