(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine

C13H9BrFNS2 — CID 80744859

IUPAC(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1ccc(F)c(Br)c1)c1cc2sccc2s1
InChIInChI=1S/C13H9BrFNS2/c14-8-5-7(1-2-9(8)15)13(16)12-6-11-10(18-12)3-4-17-11/h1-6,13H,16H2
InChIKeyJEGGTEKCLLDKGD-UHFFFAOYSA-N
MW342.26 g/mol
LogP4.91
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine

(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 80744859) has the molecular formula C13H9BrFNS2 and a molecular weight of 342.26 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID80744859
Molecular FormulaC13H9BrFNS2
Molecular Weight342.26 g/mol
Exact Mass340.93
IUPAC Name(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1ccc(F)c(Br)c1)c1cc2sccc2s1
InChIInChI=1S/C13H9BrFNS2/c14-8-5-7(1-2-9(8)15)13(16)12-6-11-10(18-12)3-4-17-11/h1-6,13H,16H2
InChIKeyJEGGTEKCLLDKGD-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine
CID 107291822
(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733537
(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733867
(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733937
(3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 79747667
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 107950955
(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 106764406
(4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745335
2-(3-bromo-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115818614
2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733287
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
CID 79746837
2-(3-bromo-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115818726

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (CID 80744859) is (3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is NC(c1ccc(F)c(Br)c1)c1cc2sccc2s1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is JEGGTEKCLLDKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNS2/c14-8-5-7(1-2-9(8)15)13(16)12-6-11-10(18-12)3-4-17-11/h1-6,13H,16H2.
What are the key properties of (3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 342.26 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 80744859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).