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

C7H6Cl2F3N3O — CID 82790207

IUPAC2,4-dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine
SMILESFC(F)(F)CCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H6Cl2F3N3O/c8-4-13-5(9)15-6(14-4)16-3-1-2-7(10,11)12/h1-3H2
InChIKeyGNVACXBZOAFLJZ-UHFFFAOYSA-N
MW276.05 g/mol
LogP2.90
Rot. Bonds4

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

2,4-dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine (PubChem CID 82790207) has the molecular formula C7H6Cl2F3N3O and a molecular weight of 276.05 g/mol. Its IUPAC name is 2,4-dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine
PubChem CID82790207
Molecular FormulaC7H6Cl2F3N3O
Molecular Weight276.05 g/mol
Exact Mass274.98
IUPAC Name2,4-dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine
SMILESFC(F)(F)CCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H6Cl2F3N3O/c8-4-13-5(9)15-6(14-4)16-3-1-2-7(10,11)12/h1-3H2
InChIKeyGNVACXBZOAFLJZ-UHFFFAOYSA-N
XLogP2.90
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.05
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Butoxy-4,6-dichloro-1,3,5-triazine
CID 26302
2,4-Dichloro-6-ethoxy-1,3,5-triazine
CID 29035
2,4-Dichloro-6-propoxy-1,3,5-triazine
CID 33570
2-Chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 53342808
2,4,6-Tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine
CID 12586979
2-Ethoxy-4,6-difluoro-1,3,5-triazine
CID 20403084
2-Butoxy-4,6-difluoro-1,3,5-triazine
CID 20403086
2,4-Dichloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 58039636
2,4-Dichloro-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
CID 62859410
2,4-Dichloro-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242004
2,4-Dichloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242005
2,4-Dichloro-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine
CID 121409420

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine (CID 82790207) is 2,4-dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine is FC(F)(F)CCCOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine?
The InChIKey is GNVACXBZOAFLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2F3N3O/c8-4-13-5(9)15-6(14-4)16-3-1-2-7(10,11)12/h1-3H2.
What are the key properties of 2,4-dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine?
2,4-dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine has a molecular weight of 276.05 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine is sourced from PubChem (CID 82790207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).