1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine

C15H12F3NS2 — CID 80738455

IUPAC1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(C(F)(F)F)cc1)c1cc2sccc2s1
InChIInChI=1S/C15H12F3NS2/c16-15(17,18)10-3-1-9(2-4-10)7-11(19)13-8-14-12(21-13)5-6-20-14/h1-6,8,11H,7,19H2
InChIKeyUMLXTAVZAQATPH-UHFFFAOYSA-N
MW327.40 g/mol
LogP5.22
Rot. Bonds3

About 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine

1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 80738455) has the molecular formula C15H12F3NS2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID80738455
Molecular FormulaC15H12F3NS2
Molecular Weight327.40 g/mol
Exact Mass327.04
IUPAC Name1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(C(F)(F)F)cc1)c1cc2sccc2s1
InChIInChI=1S/C15H12F3NS2/c16-15(17,18)10-3-1-9(2-4-10)7-11(19)13-8-14-12(21-13)5-6-20-14/h1-6,8,11H,7,19H2
InChIKeyUMLXTAVZAQATPH-UHFFFAOYSA-N
XLogP5.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.40
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104992946
2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105034758
2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105015351
4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
CID 115850208
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115830695
2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80745793
1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 80738432
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105008209
3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115848689
2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738576
3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115864800
2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 112655417

Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 80738455) is 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine is NC(Cc1ccc(C(F)(F)F)cc1)c1cc2sccc2s1.
What is the InChIKey of 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is UMLXTAVZAQATPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NS2/c16-15(17,18)10-3-1-9(2-4-10)7-11(19)13-8-14-12(21-13)5-6-20-14/h1-6,8,11H,7,19H2.
What are the key properties of 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine?
1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 327.40 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 80738455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).