2-fluoro-4-(trichloromethoxy)-1,3,5-triazine

C4HCl3FN3O — CID 19104341

IUPAC2-fluoro-4-(trichloromethoxy)-1,3,5-triazine
SMILESFc1ncnc(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C4HCl3FN3O/c5-4(6,7)12-3-10-1-9-2(8)11-3/h1H
InChIKeyAFDWCPPGJATWRB-UHFFFAOYSA-N
MW232.43 g/mol
LogP1.72
Rot. Bonds1

About 2-fluoro-4-(trichloromethoxy)-1,3,5-triazine

2-fluoro-4-(trichloromethoxy)-1,3,5-triazine (PubChem CID 19104341) has the molecular formula C4HCl3FN3O and a molecular weight of 232.43 g/mol. Its IUPAC name is 2-fluoro-4-(trichloromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-fluoro-4-(trichloromethoxy)-1,3,5-triazine
PubChem CID19104341
Molecular FormulaC4HCl3FN3O
Molecular Weight232.43 g/mol
Exact Mass230.92
IUPAC Name2-fluoro-4-(trichloromethoxy)-1,3,5-triazine
SMILESFc1ncnc(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C4HCl3FN3O/c5-4(6,7)12-3-10-1-9-2(8)11-3/h1H
InChIKeyAFDWCPPGJATWRB-UHFFFAOYSA-N
XLogP1.72
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.43
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-(trichloromethoxy)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-4-fluoro-1,3,5-triazine
CID 54066451
2-Trifluoro-methoxy-1,3,5-triazine
CID 21749684
2-Chloro-4-(trifluoromethoxy)-1,3,5-triazine
CID 19104351
2-(Fluoromethoxy)-1,3,5-triazine
CID 19104354
2-[Chloro(difluoro)methoxy]-1,3,5-triazine
CID 19104360
2-Chloro-4-(difluoromethoxy)-1,3,5-triazine
CID 88425688
2-(Trichloromethoxy)-1,3,5-triazine
CID 19006217
2-Chloro-4-(trichloromethoxy)-1,3,5-triazine
CID 19104350
2,4-Bis(trichloromethoxy)-1,3,5-triazine
CID 19104357
2-(Dichloromethoxy)-1,3,5-triazine
CID 22293977
2,4-Dichloro-1,3,5-triazine;hydrofluoride
CID 159984143

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(trichloromethoxy)-1,3,5-triazine?
The IUPAC name of 2-fluoro-4-(trichloromethoxy)-1,3,5-triazine (CID 19104341) is 2-fluoro-4-(trichloromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-fluoro-4-(trichloromethoxy)-1,3,5-triazine?
The canonical SMILES for 2-fluoro-4-(trichloromethoxy)-1,3,5-triazine is Fc1ncnc(OC(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-fluoro-4-(trichloromethoxy)-1,3,5-triazine?
The InChIKey is AFDWCPPGJATWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl3FN3O/c5-4(6,7)12-3-10-1-9-2(8)11-3/h1H.
What are the key properties of 2-fluoro-4-(trichloromethoxy)-1,3,5-triazine?
2-fluoro-4-(trichloromethoxy)-1,3,5-triazine has a molecular weight of 232.43 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(trichloromethoxy)-1,3,5-triazine is sourced from PubChem (CID 19104341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).