3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one

C8H11F2N3O2 — CID 116808868

IUPAC3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one
SMILESCCN(C)c1noc(CC(=O)C(F)F)n1
InChIInChI=1S/C8H11F2N3O2/c1-3-13(2)8-11-6(15-12-8)4-5(14)7(9)10/h7H,3-4H2,1-2H3
InChIKeyRCCIMWVVTFPTEM-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.90
Rot. Bonds5

About 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one

3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one (PubChem CID 116808868) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one.

Molecular Properties

Compound Name3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one
PubChem CID116808868
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one
SMILESCCN(C)c1noc(CC(=O)C(F)F)n1
InChIInChI=1S/C8H11F2N3O2/c1-3-13(2)8-11-6(15-12-8)4-5(14)7(9)10/h7H,3-4H2,1-2H3
InChIKeyRCCIMWVVTFPTEM-UHFFFAOYSA-N
XLogP0.90
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one?
The IUPAC name of 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one (CID 116808868) is 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one.
What is the SMILES notation for 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one?
The canonical SMILES for 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one is CCN(C)c1noc(CC(=O)C(F)F)n1.
What is the InChIKey of 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one?
The InChIKey is RCCIMWVVTFPTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-3-13(2)8-11-6(15-12-8)4-5(14)7(9)10/h7H,3-4H2,1-2H3.
What are the key properties of 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one?
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one has a molecular weight of 219.19 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-one is sourced from PubChem (CID 116808868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).