2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine

C6H2ClF5N2 — CID 75406253

IUPAC2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine
SMILESFC(F)(F)C(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C6H2ClF5N2/c7-4-2-13-3(1-14-4)5(8,9)6(10,11)12/h1-2H
InChIKeyAIIIECFGQCDKOM-UHFFFAOYSA-N
MW232.54 g/mol
LogP2.78
Rot. Bonds1

About 2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine

2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine (PubChem CID 75406253) has the molecular formula C6H2ClF5N2 and a molecular weight of 232.54 g/mol. Its IUPAC name is 2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine.

Molecular Properties

Compound Name2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine
PubChem CID75406253
Molecular FormulaC6H2ClF5N2
Molecular Weight232.54 g/mol
Exact Mass231.98
IUPAC Name2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine
SMILESFC(F)(F)C(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C6H2ClF5N2/c7-4-2-13-3(1-14-4)5(8,9)6(10,11)12/h1-2H
InChIKeyAIIIECFGQCDKOM-UHFFFAOYSA-N
XLogP2.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.54
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine?
The IUPAC name of 2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine (CID 75406253) is 2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine.
What is the SMILES notation for 2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine?
The canonical SMILES for 2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine is FC(F)(F)C(F)(F)c1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine?
The InChIKey is AIIIECFGQCDKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF5N2/c7-4-2-13-3(1-14-4)5(8,9)6(10,11)12/h1-2H.
What are the key properties of 2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine?
2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine has a molecular weight of 232.54 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine is sourced from PubChem (CID 75406253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).