2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine

C12H21FN2 — CID 138702880

IUPAC2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine
SMILESCCC1C=NC(C(C)(F)CC)=C(C)N1C
InChIInChI=1S/C12H21FN2/c1-6-10-8-14-11(9(3)15(10)5)12(4,13)7-2/h8,10H,6-7H2,1-5H3
InChIKeyPCWMRTPDUVXRQU-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.15
Rot. Bonds3

About 2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine

2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine (PubChem CID 138702880) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is 2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine.

Molecular Properties

Compound Name2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine
PubChem CID138702880
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC Name2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine
SMILESCCC1C=NC(C(C)(F)CC)=C(C)N1C
InChIInChI=1S/C12H21FN2/c1-6-10-8-14-11(9(3)15(10)5)12(4,13)7-2/h8,10H,6-7H2,1-5H3
InChIKeyPCWMRTPDUVXRQU-UHFFFAOYSA-N
XLogP3.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine?
The IUPAC name of 2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine (CID 138702880) is 2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine.
What is the SMILES notation for 2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine?
The canonical SMILES for 2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine is CCC1C=NC(C(C)(F)CC)=C(C)N1C.
What is the InChIKey of 2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine?
The InChIKey is PCWMRTPDUVXRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2/c1-6-10-8-14-11(9(3)15(10)5)12(4,13)7-2/h8,10H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine?
2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine has a molecular weight of 212.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine is sourced from PubChem (CID 138702880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).