4-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine

C8H12F2N4O — CID 103151152

IUPAC4-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(CCOCC(F)F)n1
InChIInChI=1S/C8H12F2N4O/c1-5-12-7(14-8(11)13-5)2-3-15-4-6(9)10/h6H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyYVVXKIKGWNQAKD-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.59
Rot. Bonds5

About 4-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine

4-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 103151152) has the molecular formula C8H12F2N4O and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID103151152
Molecular FormulaC8H12F2N4O
Molecular Weight218.21 g/mol
Exact Mass218.10
IUPAC Name4-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(CCOCC(F)F)n1
InChIInChI=1S/C8H12F2N4O/c1-5-12-7(14-8(11)13-5)2-3-15-4-6(9)10/h6H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyYVVXKIKGWNQAKD-UHFFFAOYSA-N
XLogP0.59
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine (CID 103151152) is 4-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine is Cc1nc(N)nc(CCOCC(F)F)n1.
What is the InChIKey of 4-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is YVVXKIKGWNQAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O/c1-5-12-7(14-8(11)13-5)2-3-15-4-6(9)10/h6H,2-4H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 218.21 g/mol, XLogP of 0.59, 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]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).