2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine

C8H6ClF5N2O — CID 165393997

IUPAC2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine
SMILESFC(F)(F)C(F)(F)COc1cnc(CCl)cn1
InChIInChI=1S/C8H6ClF5N2O/c9-1-5-2-16-6(3-15-5)17-4-7(10,11)8(12,13)14/h2-3H,1,4H2
InChIKeyDIZUTOHZDBKQGQ-UHFFFAOYSA-N
MW276.59 g/mol
LogP2.79
Rot. Bonds4

About 2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine

2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine (PubChem CID 165393997) has the molecular formula C8H6ClF5N2O and a molecular weight of 276.59 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine
PubChem CID165393997
Molecular FormulaC8H6ClF5N2O
Molecular Weight276.59 g/mol
Exact Mass276.01
IUPAC Name2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine
SMILESFC(F)(F)C(F)(F)COc1cnc(CCl)cn1
InChIInChI=1S/C8H6ClF5N2O/c9-1-5-2-16-6(3-15-5)17-4-7(10,11)8(12,13)14/h2-3H,1,4H2
InChIKeyDIZUTOHZDBKQGQ-UHFFFAOYSA-N
XLogP2.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.59
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine?
The IUPAC name of 2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine (CID 165393997) is 2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine.
What is the SMILES notation for 2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine?
The canonical SMILES for 2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine is FC(F)(F)C(F)(F)COc1cnc(CCl)cn1.
What is the InChIKey of 2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine?
The InChIKey is DIZUTOHZDBKQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N2O/c9-1-5-2-16-6(3-15-5)17-4-7(10,11)8(12,13)14/h2-3H,1,4H2.
What are the key properties of 2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine?
2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine has a molecular weight of 276.59 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyrazine is sourced from PubChem (CID 165393997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).