5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde

C7H5F3N2O2 — CID 59455303

IUPAC5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde
SMILESO=Cc1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)4-14-6-2-11-5(3-13)1-12-6/h1-3H,4H2
InChIKeyPAJGZWMIHQOHML-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.23
Rot. Bonds3

About 5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde

5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde (PubChem CID 59455303) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde
PubChem CID59455303
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde
SMILESO=Cc1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)4-14-6-2-11-5(3-13)1-12-6/h1-3H,4H2
InChIKeyPAJGZWMIHQOHML-UHFFFAOYSA-N
XLogP1.23
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde 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 5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde?
The IUPAC name of 5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde (CID 59455303) is 5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde?
The canonical SMILES for 5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde is O=Cc1cnc(OCC(F)(F)F)cn1.
What is the InChIKey of 5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde?
The InChIKey is PAJGZWMIHQOHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)4-14-6-2-11-5(3-13)1-12-6/h1-3H,4H2.
What are the key properties of 5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde?
5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde has a molecular weight of 206.12 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxy)pyrazine-2-carbaldehyde is sourced from PubChem (CID 59455303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).