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

C7H10F3N3O — CID 82184347

IUPAC2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCC(C)C(N)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C7H10F3N3O/c1-3(2)4(11)5-12-13-6(14-5)7(8,9)10/h3-4H,11H2,1-2H3
InChIKeyHRPUWIWPGJWKGP-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.74
Rot. Bonds2

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

2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 82184347) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID82184347
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCC(C)C(N)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C7H10F3N3O/c1-3(2)4(11)5-12-13-6(14-5)7(8,9)10/h3-4H,11H2,1-2H3
InChIKeyHRPUWIWPGJWKGP-UHFFFAOYSA-N
XLogP1.74
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 82184347) is 2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CC(C)C(N)c1nnc(C(F)(F)F)o1.
What is the InChIKey of 2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is HRPUWIWPGJWKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-3(2)4(11)5-12-13-6(14-5)7(8,9)10/h3-4H,11H2,1-2H3.
What are the key properties of 2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 209.17 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 82184347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).