4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine

C4H2Cl3FN4O — CID 139827379

IUPAC4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(F)nc(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C4H2Cl3FN4O/c5-4(6,7)13-3-11-1(8)10-2(9)12-3/h(H2,9,10,11,12)
InChIKeyXCYBREVTVQLZTH-UHFFFAOYSA-N
MW247.44 g/mol
LogP1.30
Rot. Bonds1

About 4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine

4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine (PubChem CID 139827379) has the molecular formula C4H2Cl3FN4O and a molecular weight of 247.44 g/mol. Its IUPAC name is 4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine
PubChem CID139827379
Molecular FormulaC4H2Cl3FN4O
Molecular Weight247.44 g/mol
Exact Mass245.93
IUPAC Name4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(F)nc(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C4H2Cl3FN4O/c5-4(6,7)13-3-11-1(8)10-2(9)12-3/h(H2,9,10,11,12)
InChIKeyXCYBREVTVQLZTH-UHFFFAOYSA-N
XLogP1.30
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dichloro-6-(trifluoromethoxy)-1,3,5-triazine
CID 10966416
6-[Chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine
CID 10867578
4-[Chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine
CID 11009320
2,4-Difluoro-6-(trichloromethoxy)-1,3,5-triazine
CID 15010386
4-Chloro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006211
4-Chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine
CID 19006213
2-Fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine
CID 19104340
2,4-Dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine
CID 19104361
4,6-Bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine
CID 57243326
2-[Dichloro(fluoro)methoxy]-4,6-difluoro-1,3,5-triazine
CID 85634644

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine (CID 139827379) is 4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine is Nc1nc(F)nc(OC(Cl)(Cl)Cl)n1.
What is the InChIKey of 4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine?
The InChIKey is XCYBREVTVQLZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl3FN4O/c5-4(6,7)13-3-11-1(8)10-2(9)12-3/h(H2,9,10,11,12).
What are the key properties of 4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine?
4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine has a molecular weight of 247.44 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 139827379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).