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

C9H8F9N5 — CID 14512644

IUPAC6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H8F9N5/c10-6(11,7(12,13)8(14,15)9(16,17)18)2-1-3-21-4(19)23-5(20)22-3/h1-2H2,(H4,19,20,21,22,23)
InChIKeyBTZUGKKOTCZLRB-UHFFFAOYSA-N
MW357.18 g/mol
LogP2.44
Rot. Bonds5

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

6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine (PubChem CID 14512644) has the molecular formula C9H8F9N5 and a molecular weight of 357.18 g/mol. Its IUPAC name is 6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine
PubChem CID14512644
Molecular FormulaC9H8F9N5
Molecular Weight357.18 g/mol
Exact Mass357.06
IUPAC Name6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H8F9N5/c10-6(11,7(12,13)8(14,15)9(16,17)18)2-1-3-21-4(19)23-5(20)22-3/h1-2H2,(H4,19,20,21,22,23)
InChIKeyBTZUGKKOTCZLRB-UHFFFAOYSA-N
XLogP2.44
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.18
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-Undecyl-1,3,5-triazine-2,4-diamine
CID 75673
6-Pentyl-1,3,5-triazine-2,4-diamine
CID 18673
6-Nonyl-1,3,5-triazine-2,4-diamine
CID 22209
6-Heptyl-1,3,5-triazine-2,4-diamine
CID 80121
1,3,5-Triazine-2,4-diamine, 6-decyl-
CID 122442
6-Tridecyl-1,3,5-triazine-2,4-diamine
CID 80216
6-(2,2,2-Trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 14512633
6-(2,2,3,3,3-Pentafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 14512634
6-(3,3,3-Trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 14512642
6-(3,3,4,4,4-Pentafluorobutyl)-1,3,5-triazine-2,4-diamine
CID 14512643
6-(3,3,4,4,5,5,5-Heptafluoropentyl)-1,3,5-triazine-2,4-diamine
CID 14512646
6-(4,4,5,5,6,6,7,7,7-Nonafluoroheptyl)-1,3,5-triazine-2,4-diamine
CID 14512656

Frequently Asked Questions

What is the IUPAC name of 6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine (CID 14512644) is 6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BTZUGKKOTCZLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F9N5/c10-6(11,7(12,13)8(14,15)9(16,17)18)2-1-3-21-4(19)23-5(20)22-3/h1-2H2,(H4,19,20,21,22,23).
What are the key properties of 6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine?
6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 357.18 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14512644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).