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

C8H6F3N3OS — CID 61393009

IUPAC5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1ccc(-c2nc(CC(F)(F)F)no2)s1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)3-6-13-7(15-14-6)4-1-2-5(12)16-4/h1-2H,3,12H2
InChIKeyIAVPDOBMUSHXNZ-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.49
Rot. Bonds2

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

5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 61393009) has the molecular formula C8H6F3N3OS and a molecular weight of 249.22 g/mol. Its IUPAC name is 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID61393009
Molecular FormulaC8H6F3N3OS
Molecular Weight249.22 g/mol
Exact Mass249.02
IUPAC Name5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1ccc(-c2nc(CC(F)(F)F)no2)s1
InChIInChI=1S/C8H6F3N3OS/c9-8(10,11)3-6-13-7(15-14-6)4-1-2-5(12)16-4/h1-2H,3,12H2
InChIKeyIAVPDOBMUSHXNZ-UHFFFAOYSA-N
XLogP2.49
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 61393009) is 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Nc1ccc(-c2nc(CC(F)(F)F)no2)s1.
What is the InChIKey of 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is IAVPDOBMUSHXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3OS/c9-8(10,11)3-6-13-7(15-14-6)4-1-2-5(12)16-4/h1-2H,3,12H2.
What are the key properties of 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 249.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 61393009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).