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

C7H10F3N3O — CID 169164194

IUPAC5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1nnc(NCC(F)(F)F)o1
InChIInChI=1S/C7H10F3N3O/c1-4(2)5-12-13-6(14-5)11-3-7(8,9)10/h4H,3H2,1-2H3,(H,11,13)
InChIKeyVQFYNUYYEBRRMJ-UHFFFAOYSA-N
MW209.17 g/mol
LogP2.17
Rot. Bonds3

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

5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 169164194) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
PubChem CID169164194
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1nnc(NCC(F)(F)F)o1
InChIInChI=1S/C7H10F3N3O/c1-4(2)5-12-13-6(14-5)11-3-7(8,9)10/h4H,3H2,1-2H3,(H,11,13)
InChIKeyVQFYNUYYEBRRMJ-UHFFFAOYSA-N
XLogP2.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine (CID 169164194) is 5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine is CC(C)c1nnc(NCC(F)(F)F)o1.
What is the InChIKey of 5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is VQFYNUYYEBRRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-4(2)5-12-13-6(14-5)11-3-7(8,9)10/h4H,3H2,1-2H3,(H,11,13).
What are the key properties of 5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 209.17 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 169164194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).