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

C12H19F3N2O2 — CID 59611093

IUPAC(2R,5S)-3,6-dimethoxy-2-propan-2-yl-5-(3,3,3-trifluoropropyl)-2,5-dihydropyrazine
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1CCC(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-7(2)9-11(19-4)16-8(10(17-9)18-3)5-6-12(13,14)15/h7-9H,5-6H2,1-4H3/t8-,9+/m0/s1
InChIKeyQMURYCFKLMQXOL-DTWKUNHWSA-N
MW280.29 g/mol
LogP2.83
Rot. Bonds3

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

(2R,5S)-3,6-dimethoxy-2-propan-2-yl-5-(3,3,3-trifluoropropyl)-2,5-dihydropyrazine (PubChem CID 59611093) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is (2R,5S)-3,6-dimethoxy-2-propan-2-yl-5-(3,3,3-trifluoropropyl)-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2R,5S)-3,6-dimethoxy-2-propan-2-yl-5-(3,3,3-trifluoropropyl)-2,5-dihydropyrazine
PubChem CID59611093
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name(2R,5S)-3,6-dimethoxy-2-propan-2-yl-5-(3,3,3-trifluoropropyl)-2,5-dihydropyrazine
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1CCC(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-7(2)9-11(19-4)16-8(10(17-9)18-3)5-6-12(13,14)15/h7-9H,5-6H2,1-4H3/t8-,9+/m0/s1
InChIKeyQMURYCFKLMQXOL-DTWKUNHWSA-N
XLogP2.83
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-3,6-dimethoxy-2-propan-2-yl-5-(3,3,3-trifluoropropyl)-2,5-dihydropyrazine?
The IUPAC name of (2R,5S)-3,6-dimethoxy-2-propan-2-yl-5-(3,3,3-trifluoropropyl)-2,5-dihydropyrazine (CID 59611093) is (2R,5S)-3,6-dimethoxy-2-propan-2-yl-5-(3,3,3-trifluoropropyl)-2,5-dihydropyrazine.
What is the SMILES notation for (2R,5S)-3,6-dimethoxy-2-propan-2-yl-5-(3,3,3-trifluoropropyl)-2,5-dihydropyrazine?
The canonical SMILES for (2R,5S)-3,6-dimethoxy-2-propan-2-yl-5-(3,3,3-trifluoropropyl)-2,5-dihydropyrazine is COC1=N[C@H](C(C)C)C(OC)=N[C@H]1CCC(F)(F)F.
What is the InChIKey of (2R,5S)-3,6-dimethoxy-2-propan-2-yl-5-(3,3,3-trifluoropropyl)-2,5-dihydropyrazine?
The InChIKey is QMURYCFKLMQXOL-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-7(2)9-11(19-4)16-8(10(17-9)18-3)5-6-12(13,14)15/h7-9H,5-6H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (2R,5S)-3,6-dimethoxy-2-propan-2-yl-5-(3,3,3-trifluoropropyl)-2,5-dihydropyrazine?
(2R,5S)-3,6-dimethoxy-2-propan-2-yl-5-(3,3,3-trifluoropropyl)-2,5-dihydropyrazine has a molecular weight of 280.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-3,6-dimethoxy-2-propan-2-yl-5-(3,3,3-trifluoropropyl)-2,5-dihydropyrazine is sourced from PubChem (CID 59611093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).