6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine

C10H10F9N5 — CID 14512656

IUPAC6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H10F9N5/c11-7(12,8(13,14)9(15,16)10(17,18)19)3-1-2-4-22-5(20)24-6(21)23-4/h1-3H2,(H4,20,21,22,23,24)
InChIKeyVLBBMMCEGLPQFY-UHFFFAOYSA-N
MW371.21 g/mol
LogP2.83
Rot. Bonds6

About 6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine

6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine (PubChem CID 14512656) has the molecular formula C10H10F9N5 and a molecular weight of 371.21 g/mol. Its IUPAC name is 6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine
PubChem CID14512656
Molecular FormulaC10H10F9N5
Molecular Weight371.21 g/mol
Exact Mass371.08
IUPAC Name6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H10F9N5/c11-7(12,8(13,14)9(15,16)10(17,18)19)3-1-2-4-22-5(20)24-6(21)23-4/h1-3H2,(H4,20,21,22,23,24)
InChIKeyVLBBMMCEGLPQFY-UHFFFAOYSA-N
XLogP2.83
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-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-Nonyl-1,3,5-triazine-2,4-diamine
CID 22209
6-Pentyl-1,3,5-triazine-2,4-diamine
CID 18673
6-Heptadecyl-1,3,5-triazine-2,4-diamine
CID 17329
6-Heptyl-1,3,5-triazine-2,4-diamine
CID 80121
1,3,5-Triazine-2,4-diamine, 6-decyl-
CID 122442
Perfluorononyl-s-triazine
CID 129822003
2-[Perfluoroheptyl]-4,6-bis[trifluoromethyl]-1,3,5-triazine
CID 550577
6-Tridecyl-1,3,5-triazine-2,4-diamine
CID 80216
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

Frequently Asked Questions

What is the IUPAC name of 6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine (CID 14512656) is 6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VLBBMMCEGLPQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F9N5/c11-7(12,8(13,14)9(15,16)10(17,18)19)3-1-2-4-22-5(20)24-6(21)23-4/h1-3H2,(H4,20,21,22,23,24).
What are the key properties of 6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine?
6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 371.21 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14512656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).