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

C5H2Cl2F3N3O — CID 118501382

IUPAC2,4-dichloro-6-(1,1-dideuterio-2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILES[2H]C([2H])(Oc1nc(Cl)nc(Cl)n1)C(F)(F)F
InChIInChI=1S/C5H2Cl2F3N3O/c6-2-11-3(7)13-4(12-2)14-1-5(8,9)10/h1H2/i1D2
InChIKeyGCFFNZUYUQOBOT-DICFDUPASA-N
MW250.00 g/mol
LogP2.12
Rot. Bonds2

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

2,4-dichloro-6-(1,1-dideuterio-2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 118501382) has the molecular formula C5H2Cl2F3N3O and a molecular weight of 250.00 g/mol. Its IUPAC name is 2,4-dichloro-6-(1,1-dideuterio-2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(1,1-dideuterio-2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID118501382
Molecular FormulaC5H2Cl2F3N3O
Molecular Weight250.00 g/mol
Exact Mass248.97
IUPAC Name2,4-dichloro-6-(1,1-dideuterio-2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILES[2H]C([2H])(Oc1nc(Cl)nc(Cl)n1)C(F)(F)F
InChIInChI=1S/C5H2Cl2F3N3O/c6-2-11-3(7)13-4(12-2)14-1-5(8,9)10/h1H2/i1D2
InChIKeyGCFFNZUYUQOBOT-DICFDUPASA-N
XLogP2.12
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.00
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(1,1-dideuterio-2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(1,1-dideuterio-2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 118501382) is 2,4-dichloro-6-(1,1-dideuterio-2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(1,1-dideuterio-2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(1,1-dideuterio-2,2,2-trifluoroethoxy)-1,3,5-triazine is [2H]C([2H])(Oc1nc(Cl)nc(Cl)n1)C(F)(F)F.
What is the InChIKey of 2,4-dichloro-6-(1,1-dideuterio-2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is GCFFNZUYUQOBOT-DICFDUPASA-N. The full InChI is InChI=1S/C5H2Cl2F3N3O/c6-2-11-3(7)13-4(12-2)14-1-5(8,9)10/h1H2/i1D2.
What are the key properties of 2,4-dichloro-6-(1,1-dideuterio-2,2,2-trifluoroethoxy)-1,3,5-triazine?
2,4-dichloro-6-(1,1-dideuterio-2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 250.00 g/mol, XLogP of 2.12, 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-(1,1-dideuterio-2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 118501382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).