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

C8H12F3N3O — CID 61354296

IUPAC2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(CC(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O/c1-3-7(2,12)6-13-5(15-14-6)4-8(9,10)11/h3-4,12H2,1-2H3
InChIKeyYGFGJDWYMZSKQZ-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.76
Rot. Bonds3

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

2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 61354296) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID61354296
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(CC(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O/c1-3-7(2,12)6-13-5(15-14-6)4-8(9,10)11/h3-4,12H2,1-2H3
InChIKeyYGFGJDWYMZSKQZ-UHFFFAOYSA-N
XLogP1.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 61354296) is 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(C)(N)c1noc(CC(F)(F)F)n1.
What is the InChIKey of 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is YGFGJDWYMZSKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-3-7(2,12)6-13-5(15-14-6)4-8(9,10)11/h3-4,12H2,1-2H3.
What are the key properties of 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 223.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 61354296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).