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

C6H8F3N3O — CID 62070942

IUPAC2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)3-5-12-11-4(13-5)1-2-10/h1-3,10H2
InChIKeyKSTQCORWOQBAID-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.68
Rot. Bonds3

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

2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62070942) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62070942
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)3-5-12-11-4(13-5)1-2-10/h1-3,10H2
InChIKeyKSTQCORWOQBAID-UHFFFAOYSA-N
XLogP0.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-1,3,4-oxadiazol-2-yl)ethan-1-amine
CID 10057848
2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine Hydrochloride
CID 10057847
2-(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl)ethan-1-amine
CID 55264118
2-[5-(Fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 58687551
N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 58689305
2-[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 118570621
2-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069890
3-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62071291
3-[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62072144
2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162372
2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62162385
N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62162396

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62070942) is 2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine is NCCc1nnc(CC(F)(F)F)o1.
What is the InChIKey of 2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is KSTQCORWOQBAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c7-6(8,9)3-5-12-11-4(13-5)1-2-10/h1-3,10H2.
What are the key properties of 2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 195.14 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62070942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).