(5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate

C10H13FN2O2 — CID 23462037

IUPAC(5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1cnc(F)cn1
InChIInChI=1S/C10H13FN2O2/c1-10(2,3)9(14)15-6-7-4-13-8(11)5-12-7/h4-5H,6H2,1-3H3
InChIKeyUOMWIJPBIJSZCN-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.71
Rot. Bonds2

About (5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate

(5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate (PubChem CID 23462037) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is (5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate
PubChem CID23462037
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name(5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1cnc(F)cn1
InChIInChI=1S/C10H13FN2O2/c1-10(2,3)9(14)15-6-7-4-13-8(11)5-12-7/h4-5H,6H2,1-3H3
InChIKeyUOMWIJPBIJSZCN-UHFFFAOYSA-N
XLogP1.71
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate (CID 23462037) is (5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1cnc(F)cn1.
What is the InChIKey of (5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is UOMWIJPBIJSZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-10(2,3)9(14)15-6-7-4-13-8(11)5-12-7/h4-5H,6H2,1-3H3.
What are the key properties of (5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate?
(5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 212.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 23462037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).