6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile

C7H2F5N3 — CID 75530352

IUPAC6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile
SMILESN#Cc1cncc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7H2F5N3/c8-6(9,7(10,11)12)5-3-14-2-4(1-13)15-5/h2-3H
InChIKeyKHLPZDVRVKMMQE-UHFFFAOYSA-N
MW223.10 g/mol
LogP2.00
Rot. Bonds1

About 6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile

6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile (PubChem CID 75530352) has the molecular formula C7H2F5N3 and a molecular weight of 223.10 g/mol. Its IUPAC name is 6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile
PubChem CID75530352
Molecular FormulaC7H2F5N3
Molecular Weight223.10 g/mol
Exact Mass223.02
IUPAC Name6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile
SMILESN#Cc1cncc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7H2F5N3/c8-6(9,7(10,11)12)5-3-14-2-4(1-13)15-5/h2-3H
InChIKeyKHLPZDVRVKMMQE-UHFFFAOYSA-N
XLogP2.00
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.10
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile?
The IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile (CID 75530352) is 6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile?
The canonical SMILES for 6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile is N#Cc1cncc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile?
The InChIKey is KHLPZDVRVKMMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F5N3/c8-6(9,7(10,11)12)5-3-14-2-4(1-13)15-5/h2-3H.
What are the key properties of 6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile?
6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile has a molecular weight of 223.10 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 75530352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).