2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine

C5Cl6FN3O2 — CID 19104340

IUPAC2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine
SMILESFc1nc(OC(Cl)(Cl)Cl)nc(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C5Cl6FN3O2/c6-4(7,8)16-2-13-1(12)14-3(15-2)17-5(9,10)11
InChIKeyZACCCIWFHWHMFD-UHFFFAOYSA-N
MW365.79 g/mol
LogP3.42
Rot. Bonds2

About 2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine

2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine (PubChem CID 19104340) has the molecular formula C5Cl6FN3O2 and a molecular weight of 365.79 g/mol. Its IUPAC name is 2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine
PubChem CID19104340
Molecular FormulaC5Cl6FN3O2
Molecular Weight365.79 g/mol
Exact Mass362.81
IUPAC Name2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine
SMILESFc1nc(OC(Cl)(Cl)Cl)nc(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C5Cl6FN3O2/c6-4(7,8)16-2-13-1(12)14-3(15-2)17-5(9,10)11
InChIKeyZACCCIWFHWHMFD-UHFFFAOYSA-N
XLogP3.42
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 53.42
H-Bond Donors ≤ 50
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
2,4-Difluoro-6-(trichloromethoxy)-1,3,5-triazine
CID 15010386
2-Chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine
CID 19104356
2,4-Dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine
CID 19104361
2-Chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine
CID 57134375
4-Fluoro-6-(trichloromethoxy)-1,3,5-triazin-2-amine
CID 139827379
2-[Dichloro(fluoro)methoxy]-4,6-difluoro-1,3,5-triazine
CID 85634644
2,4-Dichloro-6-(trichloromethoxy)-1,3,5-triazine
CID 10945952
2-Chloro-4,6-bis(trichloromethoxy)-1,3,5-triazine
CID 19104343
2-Chloro-4-(chloromethoxy)-6-(dichloromethoxy)-1,3,5-triazine
CID 165351562

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine?
The IUPAC name of 2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine (CID 19104340) is 2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine?
The canonical SMILES for 2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine is Fc1nc(OC(Cl)(Cl)Cl)nc(OC(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine?
The InChIKey is ZACCCIWFHWHMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl6FN3O2/c6-4(7,8)16-2-13-1(12)14-3(15-2)17-5(9,10)11.
What are the key properties of 2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine?
2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine has a molecular weight of 365.79 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine is sourced from PubChem (CID 19104340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).