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

C5H6F3N3O — CID 55264118

IUPAC2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H6F3N3O/c6-5(7,8)4-11-10-3(12-4)1-2-9/h1-2,9H2
InChIKeyZTTJDKZSIMLHEV-UHFFFAOYSA-N
MW181.12 g/mol
LogP0.59
Rot. Bonds2

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

2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 55264118) has the molecular formula C5H6F3N3O and a molecular weight of 181.12 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID55264118
Molecular FormulaC5H6F3N3O
Molecular Weight181.12 g/mol
Exact Mass181.05
IUPAC Name2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H6F3N3O/c6-5(7,8)4-11-10-3(12-4)1-2-9/h1-2,9H2
InChIKeyZTTJDKZSIMLHEV-UHFFFAOYSA-N
XLogP0.59
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 105446626
CID 118570621
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CID 169273849
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CID 62069890
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CID 62070926
CID 62070926
CID 62070942
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CID 62162372
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CID 62162385
CID 62162385

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 55264118) is 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine is NCCc1nnc(C(F)(F)F)o1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is ZTTJDKZSIMLHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O/c6-5(7,8)4-11-10-3(12-4)1-2-9/h1-2,9H2.
What are the key properties of 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 181.12 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 55264118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).