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

C10H16F3N3O2 — CID 103211723

IUPAC2,2-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(C)(C)C(N)c1noc(COCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O2/c1-9(2,3)7(14)8-15-6(18-16-8)4-17-5-10(11,12)13/h7H,4-5,14H2,1-3H3
InChIKeyRPJPFFNREBOKKD-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.19
Rot. Bonds4

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

2,2-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 103211723) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2,2-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID103211723
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name2,2-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(C)(C)C(N)c1noc(COCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3O2/c1-9(2,3)7(14)8-15-6(18-16-8)4-17-5-10(11,12)13/h7H,4-5,14H2,1-3H3
InChIKeyRPJPFFNREBOKKD-UHFFFAOYSA-N
XLogP2.19
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 103211723) is 2,2-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC(C)(C)C(N)c1noc(COCC(F)(F)F)n1.
What is the InChIKey of 2,2-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is RPJPFFNREBOKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-9(2,3)7(14)8-15-6(18-16-8)4-17-5-10(11,12)13/h7H,4-5,14H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2,2-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 267.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 103211723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).