3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine

C12H21F2N3O2 — CID 103146297

IUPAC3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
SMILESCC(C)(N)C(C)(C)c1nc(CCOCC(F)F)no1
InChIInChI=1S/C12H21F2N3O2/c1-11(2,12(3,4)15)10-16-9(17-19-10)5-6-18-7-8(13)14/h8H,5-7,15H2,1-4H3
InChIKeyYVBLXWGSIDPMJL-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.91
Rot. Bonds7

About 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine

3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine (PubChem CID 103146297) has the molecular formula C12H21F2N3O2 and a molecular weight of 277.31 g/mol. Its IUPAC name is 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
PubChem CID103146297
Molecular FormulaC12H21F2N3O2
Molecular Weight277.31 g/mol
Exact Mass277.16
IUPAC Name3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
SMILESCC(C)(N)C(C)(C)c1nc(CCOCC(F)F)no1
InChIInChI=1S/C12H21F2N3O2/c1-11(2,12(3,4)15)10-16-9(17-19-10)5-6-18-7-8(13)14/h8H,5-7,15H2,1-4H3
InChIKeyYVBLXWGSIDPMJL-UHFFFAOYSA-N
XLogP1.91
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine?
The IUPAC name of 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine (CID 103146297) is 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine.
What is the SMILES notation for 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine?
The canonical SMILES for 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine is CC(C)(N)C(C)(C)c1nc(CCOCC(F)F)no1.
What is the InChIKey of 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine?
The InChIKey is YVBLXWGSIDPMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3O2/c1-11(2,12(3,4)15)10-16-9(17-19-10)5-6-18-7-8(13)14/h8H,5-7,15H2,1-4H3.
What are the key properties of 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine?
3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine has a molecular weight of 277.31 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine is sourced from PubChem (CID 103146297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).