3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine

C12H19F3N2O2 — CID 66791149

IUPAC3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine
SMILESCOC1=NC(C(C)C)C(OC)=NC1CC(F)C(F)F
InChIInChI=1S/C12H19F3N2O2/c1-6(2)9-12(19-4)16-8(11(17-9)18-3)5-7(13)10(14)15/h6-10H,5H2,1-4H3
InChIKeyAHKHDXAXPAKDQQ-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.48
Rot. Bonds4

About 3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine

3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine (PubChem CID 66791149) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine.

Molecular Properties

Compound Name3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine
PubChem CID66791149
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine
SMILESCOC1=NC(C(C)C)C(OC)=NC1CC(F)C(F)F
InChIInChI=1S/C12H19F3N2O2/c1-6(2)9-12(19-4)16-8(11(17-9)18-3)5-7(13)10(14)15/h6-10H,5H2,1-4H3
InChIKeyAHKHDXAXPAKDQQ-UHFFFAOYSA-N
XLogP2.48
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine?
The IUPAC name of 3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine (CID 66791149) is 3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine.
What is the SMILES notation for 3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine?
The canonical SMILES for 3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine is COC1=NC(C(C)C)C(OC)=NC1CC(F)C(F)F.
What is the InChIKey of 3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine?
The InChIKey is AHKHDXAXPAKDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-6(2)9-12(19-4)16-8(11(17-9)18-3)5-7(13)10(14)15/h6-10H,5H2,1-4H3.
What are the key properties of 3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine?
3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine has a molecular weight of 280.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-2-propan-2-yl-5-(2,3,3-trifluoropropyl)-2,5-dihydropyrazine is sourced from PubChem (CID 66791149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).