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

C8H11F3N2O2 — CID 66155546

IUPAC2,2,2-trifluoro-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCOCc1cc(CNCC(F)(F)F)no1
InChIInChI=1S/C8H11F3N2O2/c1-14-4-7-2-6(13-15-7)3-12-5-8(9,10)11/h2,12H,3-5H2,1H3
InChIKeyBKPXDDPPNFMDQZ-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.47
Rot. Bonds5

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

2,2,2-trifluoro-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 66155546) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID66155546
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name2,2,2-trifluoro-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCOCc1cc(CNCC(F)(F)F)no1
InChIInChI=1S/C8H11F3N2O2/c1-14-4-7-2-6(13-15-7)3-12-5-8(9,10)11/h2,12H,3-5H2,1H3
InChIKeyBKPXDDPPNFMDQZ-UHFFFAOYSA-N
XLogP1.47
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (CID 66155546) is 2,2,2-trifluoro-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is COCc1cc(CNCC(F)(F)F)no1.
What is the InChIKey of 2,2,2-trifluoro-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is BKPXDDPPNFMDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-14-4-7-2-6(13-15-7)3-12-5-8(9,10)11/h2,12H,3-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 224.18 g/mol, XLogP of 1.47, 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-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 66155546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).