[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate

C11H13F3N2O3 — CID 130474390

IUPAC[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate
SMILESCOc1nc(C(C)C)c(OC(C)=O)nc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c1-5(2)7-9(19-6(3)17)16-8(11(12,13)14)10(15-7)18-4/h5H,1-4H3
InChIKeyJWPJYTLJWUYVJA-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.55
Rot. Bonds3

About [5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate

[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate (PubChem CID 130474390) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is [5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate.

Molecular Properties

Compound Name[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate
PubChem CID130474390
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate
SMILESCOc1nc(C(C)C)c(OC(C)=O)nc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c1-5(2)7-9(19-6(3)17)16-8(11(12,13)14)10(15-7)18-4/h5H,1-4H3
InChIKeyJWPJYTLJWUYVJA-UHFFFAOYSA-N
XLogP2.55
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate?
The IUPAC name of [5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate (CID 130474390) is [5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate.
What is the SMILES notation for [5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate?
The canonical SMILES for [5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate is COc1nc(C(C)C)c(OC(C)=O)nc1C(F)(F)F.
What is the InChIKey of [5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate?
The InChIKey is JWPJYTLJWUYVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-5(2)7-9(19-6(3)17)16-8(11(12,13)14)10(15-7)18-4/h5H,1-4H3.
What are the key properties of [5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate?
[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate has a molecular weight of 278.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl] acetate is sourced from PubChem (CID 130474390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).