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

C4Cl3F2N3O — CID 19104361

IUPAC2,4-dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine
SMILESFC(F)(Cl)Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4Cl3F2N3O/c5-1-10-2(6)12-3(11-1)13-4(7,8)9
InChIKeySOIXUHYCPDNBAO-UHFFFAOYSA-N
MW250.42 g/mol
LogP2.35
Rot. Bonds2

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

2,4-dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine (PubChem CID 19104361) has the molecular formula C4Cl3F2N3O and a molecular weight of 250.42 g/mol. Its IUPAC name is 2,4-dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine
PubChem CID19104361
Molecular FormulaC4Cl3F2N3O
Molecular Weight250.42 g/mol
Exact Mass248.91
IUPAC Name2,4-dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine
SMILESFC(F)(Cl)Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4Cl3F2N3O/c5-1-10-2(6)12-3(11-1)13-4(7,8)9
InChIKeySOIXUHYCPDNBAO-UHFFFAOYSA-N
XLogP2.35
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
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
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-Chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine
CID 57134375
4,6-Bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine
CID 57243326

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine (CID 19104361) is 2,4-dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine is FC(F)(Cl)Oc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine?
The InChIKey is SOIXUHYCPDNBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl3F2N3O/c5-1-10-2(6)12-3(11-1)13-4(7,8)9.
What are the key properties of 2,4-dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine?
2,4-dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine has a molecular weight of 250.42 g/mol, XLogP of 2.35, 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-[chloro(difluoro)methoxy]-1,3,5-triazine is sourced from PubChem (CID 19104361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).