2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)ethanamine

C6H7F3N2O — CID 61320176

IUPAC2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ccon1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)4-10-3-5-1-2-12-11-5/h1-2,10H,3-4H2
InChIKeyODAZGBXSTUTWCR-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.33
Rot. Bonds3

About 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)ethanamine

2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)ethanamine (PubChem CID 61320176) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)ethanamine
PubChem CID61320176
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ccon1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)4-10-3-5-1-2-12-11-5/h1-2,10H,3-4H2
InChIKeyODAZGBXSTUTWCR-UHFFFAOYSA-N
XLogP1.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.33
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-(1,2-oxazol-3-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)ethanamine (CID 61320176) is 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)ethanamine is FC(F)(F)CNCc1ccon1.
What is the InChIKey of 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The InChIKey is ODAZGBXSTUTWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)4-10-3-5-1-2-12-11-5/h1-2,10H,3-4H2.
What are the key properties of 2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)ethanamine has a molecular weight of 180.13 g/mol, XLogP of 1.33, 3 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-(1,2-oxazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 61320176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).