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

C8H11F3N2O2 — CID 81177065

IUPACN-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1ccon1
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)6-14-4-2-12-5-7-1-3-15-13-7/h1,3,12H,2,4-6H2
InChIKeyQNFYBOLRAFRIDY-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.34
Rot. Bonds6

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

N-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 81177065) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID81177065
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1ccon1
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)6-14-4-2-12-5-7-1-3-15-13-7/h1,3,12H,2,4-6H2
InChIKeyQNFYBOLRAFRIDY-UHFFFAOYSA-N
XLogP1.34
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.34
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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Related Compounds

CID 23006272
CID 23006272
CID 4914503
CID 4914503
CID 117587701
CID 117587701
CID 71858837
CID 71858837
CID 71973879
CID 71973879
CID 165981583
CID 165981583
CID 91831466
CID 91831466
CID 121524176
CID 121524176
CID 126434926
CID 126434926
CID 129169608
CID 129169608
CID 175900992
CID 175900992
CID 61320176
CID 61320176

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 81177065) is N-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is QNFYBOLRAFRIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c9-8(10,11)6-14-4-2-12-5-7-1-3-15-13-7/h1,3,12H,2,4-6H2.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 224.18 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 81177065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).