4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine

C7H10F2N4O — CID 103151154

IUPAC4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1ncnc(CCOCC(F)F)n1
InChIInChI=1S/C7H10F2N4O/c8-5(9)3-14-2-1-6-11-4-12-7(10)13-6/h4-5H,1-3H2,(H2,10,11,12,13)
InChIKeyDCXZAAGLOZPXTF-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.28
Rot. Bonds5

About 4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine

4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103151154) has the molecular formula C7H10F2N4O and a molecular weight of 204.18 g/mol. Its IUPAC name is 4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103151154
Molecular FormulaC7H10F2N4O
Molecular Weight204.18 g/mol
Exact Mass204.08
IUPAC Name4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1ncnc(CCOCC(F)F)n1
InChIInChI=1S/C7H10F2N4O/c8-5(9)3-14-2-1-6-11-4-12-7(10)13-6/h4-5H,1-3H2,(H2,10,11,12,13)
InChIKeyDCXZAAGLOZPXTF-UHFFFAOYSA-N
XLogP0.28
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-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 4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103151154) is 4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine is Nc1ncnc(CCOCC(F)F)n1.
What is the InChIKey of 4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is DCXZAAGLOZPXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O/c8-5(9)3-14-2-1-6-11-4-12-7(10)13-6/h4-5H,1-3H2,(H2,10,11,12,13).
What are the key properties of 4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 204.18 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).