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

C9H14F3N3O — CID 61393008

IUPAC2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(C)(C)C(N)c1nc(CC(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O/c1-8(2,3)6(13)7-14-5(15-16-7)4-9(10,11)12/h6H,4,13H2,1-3H3
InChIKeyZMLNBOXJDOMTKO-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.22
Rot. Bonds2

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

2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 61393008) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID61393008
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(C)(C)C(N)c1nc(CC(F)(F)F)no1
InChIInChI=1S/C9H14F3N3O/c1-8(2,3)6(13)7-14-5(15-16-7)4-9(10,11)12/h6H,4,13H2,1-3H3
InChIKeyZMLNBOXJDOMTKO-UHFFFAOYSA-N
XLogP2.22
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 61393008) is 2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC(C)(C)C(N)c1nc(CC(F)(F)F)no1.
What is the InChIKey of 2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is ZMLNBOXJDOMTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-8(2,3)6(13)7-14-5(15-16-7)4-9(10,11)12/h6H,4,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 237.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 61393008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).