tert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate

C13H17FN2O3 — CID 177025173

IUPACtert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cnc(OC2CC(F)C2)cn1
InChIInChI=1S/C13H17FN2O3/c1-13(2,3)19-12(17)10-6-16-11(7-15-10)18-9-4-8(14)5-9/h6-9H,4-5H2,1-3H3
InChIKeyOIPXAOWIQAFTDZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.31
Rot. Bonds3

About tert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate

tert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate (PubChem CID 177025173) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is tert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate
PubChem CID177025173
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Nametert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cnc(OC2CC(F)C2)cn1
InChIInChI=1S/C13H17FN2O3/c1-13(2,3)19-12(17)10-6-16-11(7-15-10)18-9-4-8(14)5-9/h6-9H,4-5H2,1-3H3
InChIKeyOIPXAOWIQAFTDZ-UHFFFAOYSA-N
XLogP2.31
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate?
The IUPAC name of tert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate (CID 177025173) is tert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate?
The canonical SMILES for tert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate is CC(C)(C)OC(=O)c1cnc(OC2CC(F)C2)cn1.
What is the InChIKey of tert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate?
The InChIKey is OIPXAOWIQAFTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-13(2,3)19-12(17)10-6-16-11(7-15-10)18-9-4-8(14)5-9/h6-9H,4-5H2,1-3H3.
What are the key properties of tert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate?
tert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate has a molecular weight of 268.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(3-fluorocyclobutyl)oxypyrazine-2-carboxylate is sourced from PubChem (CID 177025173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).