2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine

C8H8F6N2S — CID 113461190

IUPAC2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1csc(CC(F)(F)F)n1
InChIInChI=1S/C8H8F6N2S/c9-7(10,11)1-6-16-5(3-17-6)2-15-4-8(12,13)14/h3,15H,1-2,4H2
InChIKeyGNMSISQEZTZKND-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.90
Rot. Bonds4

About 2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 113461190) has the molecular formula C8H8F6N2S and a molecular weight of 278.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID113461190
Molecular FormulaC8H8F6N2S
Molecular Weight278.22 g/mol
Exact Mass278.03
IUPAC Name2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1csc(CC(F)(F)F)n1
InChIInChI=1S/C8H8F6N2S/c9-7(10,11)1-6-16-5(3-17-6)2-15-4-8(12,13)14/h3,15H,1-2,4H2
InChIKeyGNMSISQEZTZKND-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 113461190) is 2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine is FC(F)(F)CNCc1csc(CC(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is GNMSISQEZTZKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2S/c9-7(10,11)1-6-16-5(3-17-6)2-15-4-8(12,13)14/h3,15H,1-2,4H2.
What are the key properties of 2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 278.22 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 113461190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).