6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone

C12H12F3N3O3 — CID 138035921

IUPAC6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone
SMILESO=C(c1ccc(OCC(F)(F)F)nn1)N1CCC12COC2
InChIInChI=1S/C12H12F3N3O3/c13-12(14,15)7-21-9-2-1-8(16-17-9)10(19)18-4-3-11(18)5-20-6-11/h1-2H,3-7H2
InChIKeySNFVREWRNTZSAW-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.03
Rot. Bonds3

About 6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone

6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone (PubChem CID 138035921) has the molecular formula C12H12F3N3O3 and a molecular weight of 303.24 g/mol. Its IUPAC name is 6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone
PubChem CID138035921
Molecular FormulaC12H12F3N3O3
Molecular Weight303.24 g/mol
Exact Mass303.08
IUPAC Name6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone
SMILESO=C(c1ccc(OCC(F)(F)F)nn1)N1CCC12COC2
InChIInChI=1S/C12H12F3N3O3/c13-12(14,15)7-21-9-2-1-8(16-17-9)10(19)18-4-3-11(18)5-20-6-11/h1-2H,3-7H2
InChIKeySNFVREWRNTZSAW-UHFFFAOYSA-N
XLogP1.03
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone?
The IUPAC name of 6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone (CID 138035921) is 6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone.
What is the SMILES notation for 6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone?
The canonical SMILES for 6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone is O=C(c1ccc(OCC(F)(F)F)nn1)N1CCC12COC2.
What is the InChIKey of 6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone?
The InChIKey is SNFVREWRNTZSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3/c13-12(14,15)7-21-9-2-1-8(16-17-9)10(19)18-4-3-11(18)5-20-6-11/h1-2H,3-7H2.
What are the key properties of 6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone?
6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone has a molecular weight of 303.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-1-azaspiro[3.3]heptan-1-yl-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone is sourced from PubChem (CID 138035921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).