5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine

C4H4F3N3O — CID 63691891

IUPAC5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(CC(F)(F)F)n1
InChIInChI=1S/C4H4F3N3O/c5-4(6,7)1-2-9-3(8)10-11-2/h1H2,(H2,8,10)
InChIKeyVUPXBQJLKFKYMC-UHFFFAOYSA-N
MW167.09 g/mol
LogP0.76
Rot. Bonds1

About 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine

5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 63691891) has the molecular formula C4H4F3N3O and a molecular weight of 167.09 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine
PubChem CID63691891
Molecular FormulaC4H4F3N3O
Molecular Weight167.09 g/mol
Exact Mass167.03
IUPAC Name5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(CC(F)(F)F)n1
InChIInChI=1S/C4H4F3N3O/c5-4(6,7)1-2-9-3(8)10-11-2/h1H2,(H2,8,10)
InChIKeyVUPXBQJLKFKYMC-UHFFFAOYSA-N
XLogP0.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine (CID 63691891) is 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine is Nc1noc(CC(F)(F)F)n1.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is VUPXBQJLKFKYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O/c5-4(6,7)1-2-9-3(8)10-11-2/h1H2,(H2,8,10).
What are the key properties of 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine?
5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 167.09 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 63691891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).