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

C6H8F3N3O — CID 62071135

IUPAC1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C6H8F3N3O/c1-3(10)5-12-11-4(13-5)2-6(7,8)9/h3H,2,10H2,1H3
InChIKeyPXDQCSIJFZBVNE-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.19
Rot. Bonds2

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

1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62071135) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62071135
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C6H8F3N3O/c1-3(10)5-12-11-4(13-5)2-6(7,8)9/h3H,2,10H2,1H3
InChIKeyPXDQCSIJFZBVNE-UHFFFAOYSA-N
XLogP1.19
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Ethyl-1,3,4-oxadiazol-2-yl)methanamine hydrochloride
CID 44118438
1-(5-Methyl-1,3,4-oxadiazol-2-yl)ethan-1-amine hydrochloride
CID 53433549
(5-Ethyl-1,3,4-oxadiazol-2-YL)methanamine
CID 24254432
1-(5-Methyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 20655904
(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-YL)methanamine
CID 55263777
1-[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82184346
2-Methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 82184347
(R)-1-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)ethanamine
CID 90445915
(1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 94919811
(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 118168126
1-(5-Methyl-1,3,4-oxadiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 138677155
[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62069871

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62071135) is 1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(N)c1nnc(CC(F)(F)F)o1.
What is the InChIKey of 1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is PXDQCSIJFZBVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c1-3(10)5-12-11-4(13-5)2-6(7,8)9/h3H,2,10H2,1H3.
What are the key properties of 1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 195.14 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62071135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).