2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine

C8H11F3N2OS — CID 106925873

IUPAC2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine
SMILESCc1coc(SCCNCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N2OS/c1-6-4-14-7(13-6)15-3-2-12-5-8(9,10)11/h4,12H,2-3,5H2,1H3
InChIKeyRGNGZEKLOVBSAI-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.23
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine

2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine (PubChem CID 106925873) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine
PubChem CID106925873
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine
SMILESCc1coc(SCCNCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N2OS/c1-6-4-14-7(13-6)15-3-2-12-5-8(9,10)11/h4,12H,2-3,5H2,1H3
InChIKeyRGNGZEKLOVBSAI-UHFFFAOYSA-N
XLogP2.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine (CID 106925873) is 2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine is Cc1coc(SCCNCC(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine?
The InChIKey is RGNGZEKLOVBSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-6-4-14-7(13-6)15-3-2-12-5-8(9,10)11/h4,12H,2-3,5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine?
2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine has a molecular weight of 240.25 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]ethanamine is sourced from PubChem (CID 106925873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).