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

C11H18F3N3O — CID 79953399

IUPAC2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(C)(N)C(C)(C)c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O/c1-9(2,10(3,4)15)8-16-7(17-18-8)5-6-11(12,13)14/h5-6,15H2,1-4H3
InChIKeyBYERFFOUMJZEHY-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.58
Rot. Bonds4

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

2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 79953399) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID79953399
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(C)(N)C(C)(C)c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O/c1-9(2,10(3,4)15)8-16-7(17-18-8)5-6-11(12,13)14/h5-6,15H2,1-4H3
InChIKeyBYERFFOUMJZEHY-UHFFFAOYSA-N
XLogP2.58
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 79953399) is 2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CC(C)(N)C(C)(C)c1nc(CCC(F)(F)F)no1.
What is the InChIKey of 2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is BYERFFOUMJZEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-9(2,10(3,4)15)8-16-7(17-18-8)5-6-11(12,13)14/h5-6,15H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 265.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 79953399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).