2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol

C7H10F3N3O2 — CID 103857854

IUPAC2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1ncno1)CC(F)(F)F
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)4-13(1-2-14)3-6-11-5-12-15-6/h5,14H,1-4H2
InChIKeyKXKUJLRSHUWMNQ-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.43
Rot. Bonds5

About 2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol

2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103857854) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103857854
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC Name2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1ncno1)CC(F)(F)F
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)4-13(1-2-14)3-6-11-5-12-15-6/h5,14H,1-4H2
InChIKeyKXKUJLRSHUWMNQ-UHFFFAOYSA-N
XLogP0.43
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol (CID 103857854) is 2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol is OCCN(Cc1ncno1)CC(F)(F)F.
What is the InChIKey of 2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is KXKUJLRSHUWMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2/c8-7(9,10)4-13(1-2-14)3-6-11-5-12-15-6/h5,14H,1-4H2.
What are the key properties of 2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 225.17 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,4-oxadiazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103857854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).