N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C11H14F6N4O2 — CID 627767

IUPACN-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C11H14F6N4O2/c1-2-3-4-18-7-19-8(22-5-10(12,13)14)21-9(20-7)23-6-11(15,16)17/h2-6H2,1H3,(H,18,19,20,21)
InChIKeyJODYVGMEGWNLQW-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.97
Rot. Bonds8

About N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 627767) has the molecular formula C11H14F6N4O2 and a molecular weight of 348.25 g/mol. Its IUPAC name is N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID627767
Molecular FormulaC11H14F6N4O2
Molecular Weight348.25 g/mol
Exact Mass348.10
IUPAC NameN-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C11H14F6N4O2/c1-2-3-4-18-7-19-8(22-5-10(12,13)14)21-9(20-7)23-6-11(15,16)17/h2-6H2,1H3,(H,18,19,20,21)
InChIKeyJODYVGMEGWNLQW-UHFFFAOYSA-N
XLogP2.97
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-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 N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 627767) is N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CCCCNc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1.
What is the InChIKey of N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is JODYVGMEGWNLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6N4O2/c1-2-3-4-18-7-19-8(22-5-10(12,13)14)21-9(20-7)23-6-11(15,16)17/h2-6H2,1H3,(H,18,19,20,21).
What are the key properties of N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 348.25 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 627767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).