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

C8H12F3N3O — CID 82008454

IUPAC2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(C)(C)C(N)c1nc(C(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O/c1-7(2,3)4(12)5-13-6(14-15-5)8(9,10)11/h4H,12H2,1-3H3
InChIKeyCEPKWRLDSMKLOE-UHFFFAOYSA-N
MW223.20 g/mol
LogP2.13
Rot. Bonds1

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

2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 82008454) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID82008454
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(C)(C)C(N)c1nc(C(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O/c1-7(2,3)4(12)5-13-6(14-15-5)8(9,10)11/h4H,12H2,1-3H3
InChIKeyCEPKWRLDSMKLOE-UHFFFAOYSA-N
XLogP2.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 82008454) is 2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC(C)(C)C(N)c1nc(C(F)(F)F)no1.
What is the InChIKey of 2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is CEPKWRLDSMKLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-7(2,3)4(12)5-13-6(14-15-5)8(9,10)11/h4H,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
2,2-dimethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 223.20 g/mol, XLogP of 2.13, 1 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-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 82008454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).