4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine

C9H2F14N4 — CID 15486769

IUPAC4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine
SMILESNc1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H2F14N4/c10-4(11,6(14,15)8(18,19)20)1-25-2(27-3(24)26-1)5(12,13)7(16,17)9(21,22)23/h(H2,24,25,26,27)
InChIKeyXKKQKNRSYZPRIW-UHFFFAOYSA-N
MW432.12 g/mol
LogP4.03
Rot. Bonds4

About 4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine

4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 15486769) has the molecular formula C9H2F14N4 and a molecular weight of 432.12 g/mol. Its IUPAC name is 4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine
PubChem CID15486769
Molecular FormulaC9H2F14N4
Molecular Weight432.12 g/mol
Exact Mass432.01
IUPAC Name4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine
SMILESNc1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H2F14N4/c10-4(11,6(14,15)8(18,19)20)1-25-2(27-3(24)26-1)5(12,13)7(16,17)9(21,22)23/h(H2,24,25,26,27)
InChIKeyXKKQKNRSYZPRIW-UHFFFAOYSA-N
XLogP4.03
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.12
LogP ≤ 54.03
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 4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine (CID 15486769) is 4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine is Nc1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is XKKQKNRSYZPRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F14N4/c10-4(11,6(14,15)8(18,19)20)1-25-2(27-3(24)26-1)5(12,13)7(16,17)9(21,22)23/h(H2,24,25,26,27).
What are the key properties of 4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine?
4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 432.12 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 15486769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).