[3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine

C8H9F4N3O — CID 62672027

IUPAC[3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine
SMILESNCc1nccnc1OCC(F)(F)C(F)F
InChIInChI=1S/C8H9F4N3O/c9-7(10)8(11,12)4-16-6-5(3-13)14-1-2-15-6/h1-2,7H,3-4,13H2
InChIKeyWDNINZVRJDLROK-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.21
Rot. Bonds5

About [3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine

[3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine (PubChem CID 62672027) has the molecular formula C8H9F4N3O and a molecular weight of 239.17 g/mol. Its IUPAC name is [3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine
PubChem CID62672027
Molecular FormulaC8H9F4N3O
Molecular Weight239.17 g/mol
Exact Mass239.07
IUPAC Name[3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine
SMILESNCc1nccnc1OCC(F)(F)C(F)F
InChIInChI=1S/C8H9F4N3O/c9-7(10)8(11,12)4-16-6-5(3-13)14-1-2-15-6/h1-2,7H,3-4,13H2
InChIKeyWDNINZVRJDLROK-UHFFFAOYSA-N
XLogP1.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine 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 [3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine (CID 62672027) is [3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine is NCc1nccnc1OCC(F)(F)C(F)F.
What is the InChIKey of [3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine?
The InChIKey is WDNINZVRJDLROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O/c9-7(10)8(11,12)4-16-6-5(3-13)14-1-2-15-6/h1-2,7H,3-4,13H2.
What are the key properties of [3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine?
[3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine has a molecular weight of 239.17 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 62672027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).