2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine

C4HCl2F2N3O — CID 133057461

IUPAC2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine
SMILESFC(F)Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4HCl2F2N3O/c5-1-9-2(6)11-4(10-1)12-3(7)8/h3H
InChIKeyRHBIBMABUUQWES-UHFFFAOYSA-N
MW215.97 g/mol
LogP1.78
Rot. Bonds2

About 2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine

2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine (PubChem CID 133057461) has the molecular formula C4HCl2F2N3O and a molecular weight of 215.97 g/mol. Its IUPAC name is 2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine
PubChem CID133057461
Molecular FormulaC4HCl2F2N3O
Molecular Weight215.97 g/mol
Exact Mass214.95
IUPAC Name2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine
SMILESFC(F)Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4HCl2F2N3O/c5-1-9-2(6)11-4(10-1)12-3(7)8/h3H
InChIKeyRHBIBMABUUQWES-UHFFFAOYSA-N
XLogP1.78
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.97
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dichloro-6-methoxy-3,5-triazine
CID 19267
2,4-Dichloro-6-(trifluoromethoxy)-1,3,5-triazine
CID 10966416
2,4-Difluoro-6-methoxy-1,3,5-triazine
CID 15010385
2-[Chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine
CID 10921951
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-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
2,4-Dichloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 58039636

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine (CID 133057461) is 2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine is FC(F)Oc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine?
The InChIKey is RHBIBMABUUQWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2F2N3O/c5-1-9-2(6)11-4(10-1)12-3(7)8/h3H.
What are the key properties of 2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine?
2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine has a molecular weight of 215.97 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(difluoromethoxy)-1,3,5-triazine is sourced from PubChem (CID 133057461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).