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

C5H6F3N3O — CID 94919811

IUPAC(1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESC[C@H](N)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H6F3N3O/c1-2(9)3-10-11-4(12-3)5(6,7)8/h2H,9H2,1H3/t2-/m0/s1
InChIKeyLVHOUHBLHUTCGG-REOHCLBHSA-N
MW181.12 g/mol
LogP1.11
Rot. Bonds1

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

(1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 94919811) has the molecular formula C5H6F3N3O and a molecular weight of 181.12 g/mol. Its IUPAC name is (1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID94919811
Molecular FormulaC5H6F3N3O
Molecular Weight181.12 g/mol
Exact Mass181.05
IUPAC Name(1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESC[C@H](N)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H6F3N3O/c1-2(9)3-10-11-4(12-3)5(6,7)8/h2H,9H2,1H3/t2-/m0/s1
InChIKeyLVHOUHBLHUTCGG-REOHCLBHSA-N
XLogP1.11
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of (1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 94919811) is (1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine is C[C@H](N)c1nnc(C(F)(F)F)o1.
What is the InChIKey of (1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is LVHOUHBLHUTCGG-REOHCLBHSA-N. The full InChI is InChI=1S/C5H6F3N3O/c1-2(9)3-10-11-4(12-3)5(6,7)8/h2H,9H2,1H3/t2-/m0/s1.
What are the key properties of (1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
(1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 181.12 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 94919811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).