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

C13H10FNS2 — CID 80733448

IUPAC(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1ccc(F)cc1)c1cc2sccc2s1
InChIInChI=1S/C13H10FNS2/c14-9-3-1-8(2-4-9)13(15)12-7-11-10(17-12)5-6-16-11/h1-7,13H,15H2
InChIKeyOVTGNJQIPVEVTI-UHFFFAOYSA-N
MW263.36 g/mol
LogP4.15
Rot. Bonds2

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

(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 80733448) has the molecular formula C13H10FNS2 and a molecular weight of 263.36 g/mol. Its IUPAC name is (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID80733448
Molecular FormulaC13H10FNS2
Molecular Weight263.36 g/mol
Exact Mass263.02
IUPAC Name(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1ccc(F)cc1)c1cc2sccc2s1
InChIInChI=1S/C13H10FNS2/c14-9-3-1-8(2-4-9)13(15)12-7-11-10(17-12)5-6-16-11/h1-7,13H,15H2
InChIKeyOVTGNJQIPVEVTI-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (CID 80733448) is (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is NC(c1ccc(F)cc1)c1cc2sccc2s1.
What is the InChIKey of (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is OVTGNJQIPVEVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNS2/c14-9-3-1-8(2-4-9)13(15)12-7-11-10(17-12)5-6-16-11/h1-7,13H,15H2.
What are the key properties of (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 263.36 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 80733448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).