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

C10H14F3N3O3 — CID 103146146

IUPAC3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1(c2nc(CCOCC(F)(F)F)no2)CCOC1
InChIInChI=1S/C10H14F3N3O3/c11-10(12,13)6-17-3-1-7-15-8(19-16-7)9(14)2-4-18-5-9/h1-6,14H2
InChIKeyXDPAHFMTVVINLG-UHFFFAOYSA-N
MW281.23 g/mol
LogP0.77
Rot. Bonds5

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

3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 103146146) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID103146146
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC Name3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1(c2nc(CCOCC(F)(F)F)no2)CCOC1
InChIInChI=1S/C10H14F3N3O3/c11-10(12,13)6-17-3-1-7-15-8(19-16-7)9(14)2-4-18-5-9/h1-6,14H2
InChIKeyXDPAHFMTVVINLG-UHFFFAOYSA-N
XLogP0.77
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 103146146) is 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine is NC1(c2nc(CCOCC(F)(F)F)no2)CCOC1.
What is the InChIKey of 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is XDPAHFMTVVINLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c11-10(12,13)6-17-3-1-7-15-8(19-16-7)9(14)2-4-18-5-9/h1-6,14H2.
What are the key properties of 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 281.23 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 103146146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).