1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

C8H12F3N3O — CID 79798238

IUPAC1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(C)c1noc(C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O/c1-4(2)5-13-6(15-14-5)7(3,12)8(9,10)11/h4H,12H2,1-3H3
InChIKeyRBRBDULFKPOUQG-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.93
Rot. Bonds2

About 1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 79798238) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID79798238
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(C)c1noc(C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O/c1-4(2)5-13-6(15-14-5)7(3,12)8(9,10)11/h4H,12H2,1-3H3
InChIKeyRBRBDULFKPOUQG-UHFFFAOYSA-N
XLogP1.93
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (CID 79798238) is 1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is CC(C)c1noc(C(C)(N)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is RBRBDULFKPOUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-4(2)5-13-6(15-14-5)7(3,12)8(9,10)11/h4H,12H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 223.20 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 79798238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).