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

C7H8F3N3O2 — CID 82007701

IUPAC3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1(c2nc(C(F)(F)F)no2)CCOC1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)4-12-5(15-13-4)6(11)1-2-14-3-6/h1-3,11H2
InChIKeyCZDUARULXRUOQB-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.66
Rot. Bonds1

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

3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 82007701) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID82007701
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1(c2nc(C(F)(F)F)no2)CCOC1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)4-12-5(15-13-4)6(11)1-2-14-3-6/h1-3,11H2
InChIKeyCZDUARULXRUOQB-UHFFFAOYSA-N
XLogP0.66
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 82007701) is 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is NC1(c2nc(C(F)(F)F)no2)CCOC1.
What is the InChIKey of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is CZDUARULXRUOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)4-12-5(15-13-4)6(11)1-2-14-3-6/h1-3,11H2.
What are the key properties of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 223.15 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 82007701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).