2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine

C8H10F3NS — CID 79803295

IUPAC2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine
SMILESCc1cscc1CNCC(F)(F)F
InChIInChI=1S/C8H10F3NS/c1-6-3-13-4-7(6)2-12-5-8(9,10)11/h3-4,12H,2,5H2,1H3
InChIKeyHTQIGZWEFTWHJJ-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.71
Rot. Bonds3

About 2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 79803295) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine
PubChem CID79803295
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine
SMILESCc1cscc1CNCC(F)(F)F
InChIInChI=1S/C8H10F3NS/c1-6-3-13-4-7(6)2-12-5-8(9,10)11/h3-4,12H,2,5H2,1H3
InChIKeyHTQIGZWEFTWHJJ-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine (CID 79803295) is 2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine is Cc1cscc1CNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is HTQIGZWEFTWHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c1-6-3-13-4-7(6)2-12-5-8(9,10)11/h3-4,12H,2,5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 209.24 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 79803295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).