3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine

C6H4Cl2F4N4 — CID 106293343

IUPAC3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine
SMILESFC(F)C(F)(F)CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C6H4Cl2F4N4/c7-2-3(14-5(8)16-15-2)13-1-6(11,12)4(9)10/h4H,1H2,(H,13,14,16)
InChIKeyZOGCYQWHFYXGFF-UHFFFAOYSA-N
MW279.02 g/mol
LogP2.49
Rot. Bonds4

About 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine

3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine (PubChem CID 106293343) has the molecular formula C6H4Cl2F4N4 and a molecular weight of 279.02 g/mol. Its IUPAC name is 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine
PubChem CID106293343
Molecular FormulaC6H4Cl2F4N4
Molecular Weight279.02 g/mol
Exact Mass277.97
IUPAC Name3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine
SMILESFC(F)C(F)(F)CNc1nc(Cl)nnc1Cl
InChIInChI=1S/C6H4Cl2F4N4/c7-2-3(14-5(8)16-15-2)13-1-6(11,12)4(9)10/h4H,1H2,(H,13,14,16)
InChIKeyZOGCYQWHFYXGFF-UHFFFAOYSA-N
XLogP2.49
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.02
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine (CID 106293343) is 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine is FC(F)C(F)(F)CNc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine?
The InChIKey is ZOGCYQWHFYXGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F4N4/c7-2-3(14-5(8)16-15-2)13-1-6(11,12)4(9)10/h4H,1H2,(H,13,14,16).
What are the key properties of 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine has a molecular weight of 279.02 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 106293343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).