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

C8H10F3N3O2 — CID 66239087

IUPAC4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1COCC1c1nc(CC(F)(F)F)no1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)1-6-13-7(16-14-6)4-2-15-3-5(4)12/h4-5H,1-3,12H2
InChIKeyJHZTZBUGWTXBOV-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.62
Rot. Bonds2

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

4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 66239087) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID66239087
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1COCC1c1nc(CC(F)(F)F)no1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)1-6-13-7(16-14-6)4-2-15-3-5(4)12/h4-5H,1-3,12H2
InChIKeyJHZTZBUGWTXBOV-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 66239087) is 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is NC1COCC1c1nc(CC(F)(F)F)no1.
What is the InChIKey of 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is JHZTZBUGWTXBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)1-6-13-7(16-14-6)4-2-15-3-5(4)12/h4-5H,1-3,12H2.
What are the key properties of 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-[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 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 66239087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).