6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine

C8H10ClF2N3O — CID 103081323

IUPAC6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine
SMILESFC(F)COCCNc1cncc(Cl)n1
InChIInChI=1S/C8H10ClF2N3O/c9-6-3-12-4-8(14-6)13-1-2-15-5-7(10)11/h3-4,7H,1-2,5H2,(H,13,14)
InChIKeyOEOUZHHKMZXZML-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.82
Rot. Bonds6

About 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine

6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine (PubChem CID 103081323) has the molecular formula C8H10ClF2N3O and a molecular weight of 237.64 g/mol. Its IUPAC name is 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine
PubChem CID103081323
Molecular FormulaC8H10ClF2N3O
Molecular Weight237.64 g/mol
Exact Mass237.05
IUPAC Name6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine
SMILESFC(F)COCCNc1cncc(Cl)n1
InChIInChI=1S/C8H10ClF2N3O/c9-6-3-12-4-8(14-6)13-1-2-15-5-7(10)11/h3-4,7H,1-2,5H2,(H,13,14)
InChIKeyOEOUZHHKMZXZML-UHFFFAOYSA-N
XLogP1.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine 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-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine (CID 103081323) is 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine is FC(F)COCCNc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine?
The InChIKey is OEOUZHHKMZXZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2N3O/c9-6-3-12-4-8(14-6)13-1-2-15-5-7(10)11/h3-4,7H,1-2,5H2,(H,13,14).
What are the key properties of 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine?
6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine has a molecular weight of 237.64 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyrazin-2-amine is sourced from PubChem (CID 103081323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).