6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine

C6H6F5N5 — CID 14512634

IUPAC6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H6F5N5/c7-5(8,6(9,10)11)1-2-14-3(12)16-4(13)15-2/h1H2,(H4,12,13,14,15,16)
InChIKeyQDJAJUWWNQBZBY-UHFFFAOYSA-N
MW243.14 g/mol
LogP0.78
Rot. Bonds2

About 6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine

6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 14512634) has the molecular formula C6H6F5N5 and a molecular weight of 243.14 g/mol. Its IUPAC name is 6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine
PubChem CID14512634
Molecular FormulaC6H6F5N5
Molecular Weight243.14 g/mol
Exact Mass243.05
IUPAC Name6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H6F5N5/c7-5(8,6(9,10)11)1-2-14-3(12)16-4(13)15-2/h1H2,(H4,12,13,14,15,16)
InChIKeyQDJAJUWWNQBZBY-UHFFFAOYSA-N
XLogP0.78
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine (CID 14512634) is 6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CC(F)(F)C(F)(F)F)n1.
What is the InChIKey of 6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QDJAJUWWNQBZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5N5/c7-5(8,6(9,10)11)1-2-14-3(12)16-4(13)15-2/h1H2,(H4,12,13,14,15,16).
What are the key properties of 6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine?
6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 243.14 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14512634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).