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

C7H10F3N3O — CID 62667220

IUPAC3-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESNCCCc1noc(CC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)4-6-12-5(13-14-6)2-1-3-11/h1-4,11H2
InChIKeyCQMPBHKYXKUQQO-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.07
Rot. Bonds4

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

3-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 62667220) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 3-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID62667220
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name3-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESNCCCc1noc(CC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)4-6-12-5(13-14-6)2-1-3-11/h1-4,11H2
InChIKeyCQMPBHKYXKUQQO-UHFFFAOYSA-N
XLogP1.07
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 3-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 62667220) is 3-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is NCCCc1noc(CC(F)(F)F)n1.
What is the InChIKey of 3-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is CQMPBHKYXKUQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c8-7(9,10)4-6-12-5(13-14-6)2-1-3-11/h1-4,11H2.
What are the key properties of 3-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
3-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 209.17 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 62667220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).