3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C8H10F3N3O2 — CID 64887875

IUPAC3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1(c2nc(CC(F)(F)F)no2)CCOC1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)3-5-13-6(16-14-5)7(12)1-2-15-4-7/h1-4,12H2
InChIKeyIHMUESRYSUEXCS-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.75
Rot. Bonds2

About 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 64887875) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID64887875
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1(c2nc(CC(F)(F)F)no2)CCOC1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)3-5-13-6(16-14-5)7(12)1-2-15-4-7/h1-4,12H2
InChIKeyIHMUESRYSUEXCS-UHFFFAOYSA-N
XLogP0.75
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 64887875) is 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is NC1(c2nc(CC(F)(F)F)no2)CCOC1.
What is the InChIKey of 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is IHMUESRYSUEXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)3-5-13-6(16-14-5)7(12)1-2-15-4-7/h1-4,12H2.
What are the key properties of 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 237.18 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 64887875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).