2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine

C8H9F3N2O — CID 126556965

IUPAC2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine
SMILESCc1cnc(OC(C)C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O/c1-5-3-13-7(4-12-5)14-6(2)8(9,10)11/h3-4,6H,1-2H3
InChIKeyXDZPTISRIVAILI-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.11
Rot. Bonds2

About 2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine

2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine (PubChem CID 126556965) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine.

Molecular Properties

Compound Name2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine
PubChem CID126556965
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine
SMILESCc1cnc(OC(C)C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O/c1-5-3-13-7(4-12-5)14-6(2)8(9,10)11/h3-4,6H,1-2H3
InChIKeyXDZPTISRIVAILI-UHFFFAOYSA-N
XLogP2.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine?
The IUPAC name of 2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine (CID 126556965) is 2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine.
What is the SMILES notation for 2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine?
The canonical SMILES for 2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine is Cc1cnc(OC(C)C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine?
The InChIKey is XDZPTISRIVAILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5-3-13-7(4-12-5)14-6(2)8(9,10)11/h3-4,6H,1-2H3.
What are the key properties of 2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine?
2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine has a molecular weight of 206.17 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine is sourced from PubChem (CID 126556965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).