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

C10H6F13N5O — CID 2780455

IUPAC6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H6F13N5O/c11-5(12,1-29-4-27-2(24)26-3(25)28-4)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1H2,(H4,24,25,26,27,28)
InChIKeyYPGCCGOAPJDVQF-UHFFFAOYSA-N
MW459.17 g/mol
LogP3.15
Rot. Bonds7

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

6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 2780455) has the molecular formula C10H6F13N5O and a molecular weight of 459.17 g/mol. Its IUPAC name is 6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine
PubChem CID2780455
Molecular FormulaC10H6F13N5O
Molecular Weight459.17 g/mol
Exact Mass459.04
IUPAC Name6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H6F13N5O/c11-5(12,1-29-4-27-2(24)26-3(25)28-4)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1H2,(H4,24,25,26,27,28)
InChIKeyYPGCCGOAPJDVQF-UHFFFAOYSA-N
XLogP3.15
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.17
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-Chloro-4,6-bis[3-(perfluorohexyl)propyloxy]-1,3,5-triazine
CID 16218247
4,6-Bis[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxy]-1,3,5-triazin-2-amine
CID 4365897
6-(Heptyloxy)-1,3,5-triazine-2,4(1H,3H)-diimine
CID 116004
2-Chloro-4,6-bis[3-(heptadecafluorooctyl)propoxy]-1,3,5-triazine
CID 91147237
2,4-Dichloro-6-[3-(heptadecafluorooctyl)propoxy]-1,3,5-triazine
CID 91504284
2,4,6-Tris(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,3,5-triazine
CID 425024
2-Chloro-4,6-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)-1,3,5-triazine
CID 11332147
2,4,6-Tris(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine
CID 12298450
2-Chloro-4,6-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)-1,3,5-triazine
CID 18671283
6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecoxy)-1,3,5-triazine-2,4-diamine
CID 140511804
2,4-Difluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctoxy)-1,3,5-triazine
CID 151637346
4,6-Bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)-1,3,5-triazin-2-amine
CID 176747266

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine (CID 2780455) is 6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is YPGCCGOAPJDVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F13N5O/c11-5(12,1-29-4-27-2(24)26-3(25)28-4)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1H2,(H4,24,25,26,27,28).
What are the key properties of 6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine?
6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 459.17 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2780455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).