2-tert-butyl-5-(2-fluoropropoxy)pyrazine

C11H17FN2O — CID 161323457

IUPAC2-tert-butyl-5-(2-fluoropropoxy)pyrazine
SMILESCC(F)COc1cnc(C(C)(C)C)cn1
InChIInChI=1S/C11H17FN2O/c1-8(12)7-15-10-6-13-9(5-14-10)11(2,3)4/h5-6,8H,7H2,1-4H3
InChIKeyPRWPORICCRCFMG-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.51
Rot. Bonds3

About 2-tert-butyl-5-(2-fluoropropoxy)pyrazine

2-tert-butyl-5-(2-fluoropropoxy)pyrazine (PubChem CID 161323457) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-fluoropropoxy)pyrazine.

Molecular Properties

Compound Name2-tert-butyl-5-(2-fluoropropoxy)pyrazine
PubChem CID161323457
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-tert-butyl-5-(2-fluoropropoxy)pyrazine
SMILESCC(F)COc1cnc(C(C)(C)C)cn1
InChIInChI=1S/C11H17FN2O/c1-8(12)7-15-10-6-13-9(5-14-10)11(2,3)4/h5-6,8H,7H2,1-4H3
InChIKeyPRWPORICCRCFMG-UHFFFAOYSA-N
XLogP2.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.51
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-(2-Fluoroethoxy)-5-propan-2-ylpyrazine
CID 58448462
2-(4-Fluorobut-2-ynoxy)-5-propan-2-ylpyrazine
CID 58448502

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-fluoropropoxy)pyrazine?
The IUPAC name of 2-tert-butyl-5-(2-fluoropropoxy)pyrazine (CID 161323457) is 2-tert-butyl-5-(2-fluoropropoxy)pyrazine.
What is the SMILES notation for 2-tert-butyl-5-(2-fluoropropoxy)pyrazine?
The canonical SMILES for 2-tert-butyl-5-(2-fluoropropoxy)pyrazine is CC(F)COc1cnc(C(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-5-(2-fluoropropoxy)pyrazine?
The InChIKey is PRWPORICCRCFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-8(12)7-15-10-6-13-9(5-14-10)11(2,3)4/h5-6,8H,7H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(2-fluoropropoxy)pyrazine?
2-tert-butyl-5-(2-fluoropropoxy)pyrazine has a molecular weight of 212.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-fluoropropoxy)pyrazine is sourced from PubChem (CID 161323457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).