[4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine

C14H9F4NS2 — CID 107291822

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1ccc(F)c(C(F)(F)F)c1)c1cc2sccc2s1
InChIInChI=1S/C14H9F4NS2/c15-9-2-1-7(5-8(9)14(16,17)18)13(19)12-6-11-10(21-12)3-4-20-11/h1-6,13H,19H2
InChIKeyLIUJFKZRNIRGFE-UHFFFAOYSA-N
MW331.36 g/mol
LogP5.17
Rot. Bonds2

About [4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine

[4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 107291822) has the molecular formula C14H9F4NS2 and a molecular weight of 331.36 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID107291822
Molecular FormulaC14H9F4NS2
Molecular Weight331.36 g/mol
Exact Mass331.01
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1ccc(F)c(C(F)(F)F)c1)c1cc2sccc2s1
InChIInChI=1S/C14H9F4NS2/c15-9-2-1-7(5-8(9)14(16,17)18)13(19)12-6-11-10(21-12)3-4-20-11/h1-6,13H,19H2
InChIKeyLIUJFKZRNIRGFE-UHFFFAOYSA-N
XLogP5.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.36
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80744859
(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 80530745
(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733937
(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733867
(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733537
(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291801
2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733287
4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104992946
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601
(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 131481827
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine
CID 107291836
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine
CID 115790064

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine (CID 107291822) is [4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine is NC(c1ccc(F)c(C(F)(F)F)c1)c1cc2sccc2s1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is LIUJFKZRNIRGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NS2/c15-9-2-1-7(5-8(9)14(16,17)18)13(19)12-6-11-10(21-12)3-4-20-11/h1-6,13H,19H2.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine?
[4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 331.36 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 107291822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).