4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine

C10H10F3NS2 — CID 104992946

IUPAC4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
SMILESNC(CCC(F)(F)F)c1cc2sccc2s1
InChIInChI=1S/C10H10F3NS2/c11-10(12,13)3-1-6(14)8-5-9-7(16-8)2-4-15-9/h2,4-6H,1,3,14H2
InChIKeyVCBTWBQGJVRZQQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP4.31
Rot. Bonds3

About 4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine

4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine (PubChem CID 104992946) has the molecular formula C10H10F3NS2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
PubChem CID104992946
Molecular FormulaC10H10F3NS2
Molecular Weight265.32 g/mol
Exact Mass265.02
IUPAC Name4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
SMILESNC(CCC(F)(F)F)c1cc2sccc2s1
InChIInChI=1S/C10H10F3NS2/c11-10(12,13)3-1-6(14)8-5-9-7(16-8)2-4-15-9/h2,4-6H,1,3,14H2
InChIKeyVCBTWBQGJVRZQQ-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
CID 115850208
5,5,5-trifluoro-1-thieno[3,2-b]thiophen-5-ylpentan-1-ol
CID 115828390
1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 80738455
3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115848689
1-thieno[3,2-b]thiophen-5-ylundecan-1-amine
CID 115846032
4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104986246
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105008209
2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105015351
3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115864800
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
[4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine
CID 107291822

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine (CID 104992946) is 4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine is NC(CCC(F)(F)F)c1cc2sccc2s1.
What is the InChIKey of 4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
The InChIKey is VCBTWBQGJVRZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS2/c11-10(12,13)3-1-6(14)8-5-9-7(16-8)2-4-15-9/h2,4-6H,1,3,14H2.
What are the key properties of 4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine?
4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine is sourced from PubChem (CID 104992946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).