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

C11H12F9N5 — CID 139724195

IUPAC2-N-ethyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C11H12F9N5/c1-2-22-7-24-5(23-6(21)25-7)3-4-8(12,13)9(14,15)10(16,17)11(18,19)20/h2-4H2,1H3,(H3,21,22,23,24,25)
InChIKeyCMMXLLGERGPNHP-UHFFFAOYSA-N
MW385.23 g/mol
LogP3.29
Rot. Bonds7

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

2-N-ethyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine (PubChem CID 139724195) has the molecular formula C11H12F9N5 and a molecular weight of 385.23 g/mol. Its IUPAC name is 2-N-ethyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine
PubChem CID139724195
Molecular FormulaC11H12F9N5
Molecular Weight385.23 g/mol
Exact Mass385.09
IUPAC Name2-N-ethyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C11H12F9N5/c1-2-22-7-24-5(23-6(21)25-7)3-4-8(12,13)9(14,15)10(16,17)11(18,19)20/h2-4H2,1H3,(H3,21,22,23,24,25)
InChIKeyCMMXLLGERGPNHP-UHFFFAOYSA-N
XLogP3.29
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-6-propyl-1,3,5-triazine-2,4-diamine
CID 130532625
2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19357503
2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 130532627
5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol
CID 112746452
2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 12871
6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 67336723
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine
CID 2783341
2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol
CID 91501774
(1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol
CID 130568272
2-N,4-N-diethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 53431514
6-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine
CID 112746281

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine (CID 139724195) is 2-N-ethyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(N)nc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-N-ethyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CMMXLLGERGPNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F9N5/c1-2-22-7-24-5(23-6(21)25-7)3-4-8(12,13)9(14,15)10(16,17)11(18,19)20/h2-4H2,1H3,(H3,21,22,23,24,25).
What are the key properties of 2-N-ethyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine?
2-N-ethyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 385.23 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139724195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).