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

C8H11F3N2O — CID 65179166

IUPACN-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(CC(F)(F)F)o1
InChIInChI=1S/C8H11F3N2O/c1-2-12-5-7-13-4-6(14-7)3-8(9,10)11/h4,12H,2-3,5H2,1H3
InChIKeyKHMFXDWPFPCLJW-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.89
Rot. Bonds4

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

N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 65179166) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID65179166
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC NameN-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(CC(F)(F)F)o1
InChIInChI=1S/C8H11F3N2O/c1-2-12-5-7-13-4-6(14-7)3-8(9,10)11/h4,12H,2-3,5H2,1H3
InChIKeyKHMFXDWPFPCLJW-UHFFFAOYSA-N
XLogP1.89
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 65179166) is N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine is CCNCc1ncc(CC(F)(F)F)o1.
What is the InChIKey of N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is KHMFXDWPFPCLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-2-12-5-7-13-4-6(14-7)3-8(9,10)11/h4,12H,2-3,5H2,1H3.
What are the key properties of N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine?
N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 208.18 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 65179166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).