2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine

C9H13F2N3O — CID 70853550

IUPAC2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(C2CC(F)(F)C2)n1
InChIInChI=1S/C9H13F2N3O/c1-12-3-2-7-13-8(15-14-7)6-4-9(10,11)5-6/h6,12H,2-5H2,1H3
InChIKeyWUVLCLNFYVRGCW-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.34
Rot. Bonds4

About 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine

2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (PubChem CID 70853550) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
PubChem CID70853550
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(C2CC(F)(F)C2)n1
InChIInChI=1S/C9H13F2N3O/c1-12-3-2-7-13-8(15-14-7)6-4-9(10,11)5-6/h6,12H,2-5H2,1H3
InChIKeyWUVLCLNFYVRGCW-UHFFFAOYSA-N
XLogP1.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.34
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]-N-methylethanamine?
The IUPAC name of 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (CID 70853550) is 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is CNCCc1noc(C2CC(F)(F)C2)n1.
What is the InChIKey of 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The InChIKey is WUVLCLNFYVRGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-12-3-2-7-13-8(15-14-7)6-4-9(10,11)5-6/h6,12H,2-5H2,1H3.
What are the key properties of 2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
2-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine has a molecular weight of 217.22 g/mol, XLogP of 1.34, 4 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]-N-methylethanamine is sourced from PubChem (CID 70853550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).