2-(2,2-difluoroethoxy)-5-ethylpyrazine

C8H10F2N2O — CID 90917448

IUPAC2-(2,2-difluoroethoxy)-5-ethylpyrazine
SMILESCCc1cnc(OCC(F)F)cn1
InChIInChI=1S/C8H10F2N2O/c1-2-6-3-12-8(4-11-6)13-5-7(9)10/h3-4,7H,2,5H2,1H3
InChIKeyRNKDTSFYFFZUCV-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.68
Rot. Bonds4

About 2-(2,2-difluoroethoxy)-5-ethylpyrazine

2-(2,2-difluoroethoxy)-5-ethylpyrazine (PubChem CID 90917448) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-5-ethylpyrazine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-5-ethylpyrazine
PubChem CID90917448
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-(2,2-difluoroethoxy)-5-ethylpyrazine
SMILESCCc1cnc(OCC(F)F)cn1
InChIInChI=1S/C8H10F2N2O/c1-2-6-3-12-8(4-11-6)13-5-7(9)10/h3-4,7H,2,5H2,1H3
InChIKeyRNKDTSFYFFZUCV-UHFFFAOYSA-N
XLogP1.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-6-ethoxypyrazine
CID 104421
2-Ethoxy-3-isopropylpyrazine
CID 175170
2-Ethoxy-3-ethylpyrazine
CID 520722
2-Methyl-6-propoxypyrazine
CID 100240
2-Methyl-5-ethoxypyrazine
CID 105758
2-Isopropyl-5-methoxypyrazine
CID 92558
2-Isopropyl-6-methoxypyrazine
CID 106441
2-Ethyl-6-methoxypyrazine
CID 105759
2-Ethyl-5-methoxypyrazine
CID 106443
2-Ethoxy-5-isopropyl-3-methylpyrazine
CID 528117
2-[5-(2,2-Difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane
CID 58303305
2-(2-Fluoroethoxy)-5-propan-2-ylpyrazine
CID 58448462

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-5-ethylpyrazine?
The IUPAC name of 2-(2,2-difluoroethoxy)-5-ethylpyrazine (CID 90917448) is 2-(2,2-difluoroethoxy)-5-ethylpyrazine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-5-ethylpyrazine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-5-ethylpyrazine is CCc1cnc(OCC(F)F)cn1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-5-ethylpyrazine?
The InChIKey is RNKDTSFYFFZUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-2-6-3-12-8(4-11-6)13-5-7(9)10/h3-4,7H,2,5H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-5-ethylpyrazine?
2-(2,2-difluoroethoxy)-5-ethylpyrazine has a molecular weight of 188.18 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-5-ethylpyrazine is sourced from PubChem (CID 90917448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).