N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine

C9H13F3N2O2 — CID 62443879

IUPACN-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCC(F)(F)F)on1
InChIInChI=1S/C9H13F3N2O2/c1-2-13-4-7-3-8(16-14-7)5-15-6-9(10,11)12/h3,13H,2,4-6H2,1H3
InChIKeyAMHPQCXHDIFVSZ-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.86
Rot. Bonds6

About N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine

N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 62443879) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID62443879
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC NameN-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCC(F)(F)F)on1
InChIInChI=1S/C9H13F3N2O2/c1-2-13-4-7-3-8(16-14-7)5-15-6-9(10,11)12/h3,13H,2,4-6H2,1H3
InChIKeyAMHPQCXHDIFVSZ-UHFFFAOYSA-N
XLogP1.86
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (CID 62443879) is N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(COCC(F)(F)F)on1.
What is the InChIKey of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is AMHPQCXHDIFVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-2-13-4-7-3-8(16-14-7)5-15-6-9(10,11)12/h3,13H,2,4-6H2,1H3.
What are the key properties of N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 238.21 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62443879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).