2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine

C11H14F2N2O — CID 177013978

IUPAC2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine
SMILESCC(C)c1cnc(OC2CC(F)(F)C2)cn1
InChIInChI=1S/C11H14F2N2O/c1-7(2)9-5-15-10(6-14-9)16-8-3-11(12,13)4-8/h5-8H,3-4H2,1-2H3
InChIKeyRIDNAPNMEUFEMK-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.78
Rot. Bonds3

About 2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine

2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine (PubChem CID 177013978) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine
PubChem CID177013978
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine
SMILESCC(C)c1cnc(OC2CC(F)(F)C2)cn1
InChIInChI=1S/C11H14F2N2O/c1-7(2)9-5-15-10(6-14-9)16-8-3-11(12,13)4-8/h5-8H,3-4H2,1-2H3
InChIKeyRIDNAPNMEUFEMK-UHFFFAOYSA-N
XLogP2.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine?
The IUPAC name of 2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine (CID 177013978) is 2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine is CC(C)c1cnc(OC2CC(F)(F)C2)cn1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine?
The InChIKey is RIDNAPNMEUFEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-7(2)9-5-15-10(6-14-9)16-8-3-11(12,13)4-8/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine?
2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine has a molecular weight of 228.24 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine is sourced from PubChem (CID 177013978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).