4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine

C5H4ClF3N4O — CID 150300135

IUPAC4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine
SMILESCN(OC(F)F)c1nc(F)nc(Cl)n1
InChIInChI=1S/C5H4ClF3N4O/c1-13(14-3(7)8)5-11-2(6)10-4(9)12-5/h3H,1H3
InChIKeyGJKWOYKEKKFTRS-UHFFFAOYSA-N
MW228.56 g/mol
LogP1.25
Rot. Bonds3

About 4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine

4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine (PubChem CID 150300135) has the molecular formula C5H4ClF3N4O and a molecular weight of 228.56 g/mol. Its IUPAC name is 4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine
PubChem CID150300135
Molecular FormulaC5H4ClF3N4O
Molecular Weight228.56 g/mol
Exact Mass228.00
IUPAC Name4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine
SMILESCN(OC(F)F)c1nc(F)nc(Cl)n1
InChIInChI=1S/C5H4ClF3N4O/c1-13(14-3(7)8)5-11-2(6)10-4(9)12-5/h3H,1H3
InChIKeyGJKWOYKEKKFTRS-UHFFFAOYSA-N
XLogP1.25
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.56
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-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-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine (CID 150300135) is 4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine is CN(OC(F)F)c1nc(F)nc(Cl)n1.
What is the InChIKey of 4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is GJKWOYKEKKFTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3N4O/c1-13(14-3(7)8)5-11-2(6)10-4(9)12-5/h3H,1H3.
What are the key properties of 4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine?
4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 228.56 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(difluoromethoxy)-6-fluoro-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 150300135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).