N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine

C9H10F5N3O — CID 80878301

IUPACN-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine
SMILESCCNc1cncc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H10F5N3O/c1-2-16-6-3-15-4-7(17-6)18-5-8(10,11)9(12,13)14/h3-4H,2,5H2,1H3,(H,16,17)
InChIKeyPEUPLDQSIQNTPS-UHFFFAOYSA-N
MW271.19 g/mol
LogP2.48
Rot. Bonds5

About N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine

N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine (PubChem CID 80878301) has the molecular formula C9H10F5N3O and a molecular weight of 271.19 g/mol. Its IUPAC name is N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine
PubChem CID80878301
Molecular FormulaC9H10F5N3O
Molecular Weight271.19 g/mol
Exact Mass271.07
IUPAC NameN-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine
SMILESCCNc1cncc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H10F5N3O/c1-2-16-6-3-15-4-7(17-6)18-5-8(10,11)9(12,13)14/h3-4H,2,5H2,1H3,(H,16,17)
InChIKeyPEUPLDQSIQNTPS-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)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 N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine?
The IUPAC name of N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine (CID 80878301) is N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine?
The canonical SMILES for N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine is CCNc1cncc(OCC(F)(F)C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine?
The InChIKey is PEUPLDQSIQNTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F5N3O/c1-2-16-6-3-15-4-7(17-6)18-5-8(10,11)9(12,13)14/h3-4H,2,5H2,1H3,(H,16,17).
What are the key properties of N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine?
N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine has a molecular weight of 271.19 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine is sourced from PubChem (CID 80878301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).