2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride

C8H12ClF2N3O — CID 68752996

IUPAC2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
SMILESCl.NCCc1noc(C2CC(F)(F)C2)n1
InChIInChI=1S/C8H11F2N3O.ClH/c9-8(10)3-5(4-8)7-12-6(1-2-11)13-14-7;/h5H,1-4,11H2;1H
InChIKeyNSPPMKHZAZGWLF-UHFFFAOYSA-N
MW239.65 g/mol
LogP1.51
Rot. Bonds3

About 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride

2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride (PubChem CID 68752996) has the molecular formula C8H12ClF2N3O and a molecular weight of 239.65 g/mol. Its IUPAC name is 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
PubChem CID68752996
Molecular FormulaC8H12ClF2N3O
Molecular Weight239.65 g/mol
Exact Mass239.06
IUPAC Name2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
SMILESCl.NCCc1noc(C2CC(F)(F)C2)n1
InChIInChI=1S/C8H11F2N3O.ClH/c9-8(10)3-5(4-8)7-12-6(1-2-11)13-14-7;/h5H,1-4,11H2;1H
InChIKeyNSPPMKHZAZGWLF-UHFFFAOYSA-N
XLogP1.51
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride (CID 68752996) is 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride is Cl.NCCc1noc(C2CC(F)(F)C2)n1.
What is the InChIKey of 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
The InChIKey is NSPPMKHZAZGWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O.ClH/c9-8(10)3-5(4-8)7-12-6(1-2-11)13-14-7;/h5H,1-4,11H2;1H.
What are the key properties of 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride?
2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride has a molecular weight of 239.65 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 68752996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).