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

C4H4F3N3O — CID 55263777

IUPAC[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C4H4F3N3O/c5-4(6,7)3-10-9-2(1-8)11-3/h1,8H2
InChIKeyNYSVRXUJJHFBEZ-UHFFFAOYSA-N
MW167.09 g/mol
LogP0.55
Rot. Bonds1

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

[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 55263777) has the molecular formula C4H4F3N3O and a molecular weight of 167.09 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID55263777
Molecular FormulaC4H4F3N3O
Molecular Weight167.09 g/mol
Exact Mass167.03
IUPAC Name[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C4H4F3N3O/c5-4(6,7)3-10-9-2(1-8)11-3/h1,8H2
InChIKeyNYSVRXUJJHFBEZ-UHFFFAOYSA-N
XLogP0.55
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 55263777) is [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(C(F)(F)F)o1.
What is the InChIKey of [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is NYSVRXUJJHFBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O/c5-4(6,7)3-10-9-2(1-8)11-3/h1,8H2.
What are the key properties of [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 167.09 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 55263777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).