2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine

C5Cl3F4N3O2 — CID 57134375

IUPAC2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine
SMILESFC(F)(Cl)Oc1nc(Cl)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C5Cl3F4N3O2/c6-1-13-2(16-4(7,9)10)15-3(14-1)17-5(8,11)12
InChIKeyDTOHYSOYSFXXDK-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.86
Rot. Bonds4

About 2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine

2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine (PubChem CID 57134375) has the molecular formula C5Cl3F4N3O2 and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine
PubChem CID57134375
Molecular FormulaC5Cl3F4N3O2
Molecular Weight316.43 g/mol
Exact Mass314.90
IUPAC Name2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine
SMILESFC(F)(Cl)Oc1nc(Cl)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C5Cl3F4N3O2/c6-1-13-2(16-4(7,9)10)15-3(14-1)17-5(8,11)12
InChIKeyDTOHYSOYSFXXDK-UHFFFAOYSA-N
XLogP2.86
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.86
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-[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
1,3,5-Triazine, 2,4-difluoro-6-(trifluoromethoxy)-
CID 15010387
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
4,6-Bis(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006225
2-Fluoro-4,6-bis(trichloromethoxy)-1,3,5-triazine
CID 19104340
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
4,6-Bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine
CID 57243326

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine (CID 57134375) is 2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine is FC(F)(Cl)Oc1nc(Cl)nc(OC(F)(F)Cl)n1.
What is the InChIKey of 2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine?
The InChIKey is DTOHYSOYSFXXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl3F4N3O2/c6-1-13-2(16-4(7,9)10)15-3(14-1)17-5(8,11)12.
What are the key properties of 2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine?
2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine has a molecular weight of 316.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine is sourced from PubChem (CID 57134375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).