tert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate

C11H15FN2O2 — CID 118983845

IUPACtert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate
SMILESCC(F)c1cnc(C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C11H15FN2O2/c1-7(12)8-5-14-9(6-13-8)10(15)16-11(2,3)4/h5-7H,1-4H3
InChIKeyFHKJWVRCQVJHAX-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.46
Rot. Bonds2

About tert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate

tert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate (PubChem CID 118983845) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is tert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate
PubChem CID118983845
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Nametert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate
SMILESCC(F)c1cnc(C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C11H15FN2O2/c1-7(12)8-5-14-9(6-13-8)10(15)16-11(2,3)4/h5-7H,1-4H3
InChIKeyFHKJWVRCQVJHAX-UHFFFAOYSA-N
XLogP2.46
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate?
The IUPAC name of tert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate (CID 118983845) is tert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate?
The canonical SMILES for tert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate is CC(F)c1cnc(C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate?
The InChIKey is FHKJWVRCQVJHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(12)8-5-14-9(6-13-8)10(15)16-11(2,3)4/h5-7H,1-4H3.
What are the key properties of tert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate?
tert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate has a molecular weight of 226.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(1-fluoroethyl)pyrazine-2-carboxylate is sourced from PubChem (CID 118983845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).