3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride

C8H11ClF3N3O — CID 146193960

IUPAC3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(Cc2nc(C(F)(F)F)no2)C1
InChIInChI=1S/C8H10F3N3O.ClH/c9-8(10,11)7-13-6(15-14-7)3-4-1-5(12)2-4;/h4-5H,1-3,12H2;1H
InChIKeyZSXVDYFTXMIMFF-UHFFFAOYSA-N
MW257.64 g/mol
LogP1.79
Rot. Bonds2

About 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride

3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride (PubChem CID 146193960) has the molecular formula C8H11ClF3N3O and a molecular weight of 257.64 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride
PubChem CID146193960
Molecular FormulaC8H11ClF3N3O
Molecular Weight257.64 g/mol
Exact Mass257.05
IUPAC Name3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(Cc2nc(C(F)(F)F)no2)C1
InChIInChI=1S/C8H10F3N3O.ClH/c9-8(10,11)7-13-6(15-14-7)3-4-1-5(12)2-4;/h4-5H,1-3,12H2;1H
InChIKeyZSXVDYFTXMIMFF-UHFFFAOYSA-N
XLogP1.79
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride (CID 146193960) is 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride is Cl.NC1CC(Cc2nc(C(F)(F)F)no2)C1.
What is the InChIKey of 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride?
The InChIKey is ZSXVDYFTXMIMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O.ClH/c9-8(10,11)7-13-6(15-14-7)3-4-1-5(12)2-4;/h4-5H,1-3,12H2;1H.
What are the key properties of 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride?
3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride has a molecular weight of 257.64 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 146193960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).