2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine

C16H18F5N5O — CID 129304816

IUPAC2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(F)c2)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C16H18F5N5O/c1-3-26(4-2)14-23-13(22-11-7-5-6-10(17)8-11)24-15(25-14)27-9-16(20,21)12(18)19/h5-8,12H,3-4,9H2,1-2H3,(H,22,23,24,25)
InChIKeyXUZLSLQOIKJMKJ-UHFFFAOYSA-N
MW391.34 g/mol
LogP3.88
Rot. Bonds9

About 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 129304816) has the molecular formula C16H18F5N5O and a molecular weight of 391.34 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
PubChem CID129304816
Molecular FormulaC16H18F5N5O
Molecular Weight391.34 g/mol
Exact Mass391.14
IUPAC Name2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(F)c2)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C16H18F5N5O/c1-3-26(4-2)14-23-13(22-11-7-5-6-10(17)8-11)24-15(25-14)27-9-16(20,21)12(18)19/h5-8,12H,3-4,9H2,1-2H3,(H,22,23,24,25)
InChIKeyXUZLSLQOIKJMKJ-UHFFFAOYSA-N
XLogP3.88
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35020
N-methyl-N'-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 2266465
N-(2-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 784146
(4,6-Diethoxy-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 1158964
1-(2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl)-3-phenylurea
CID 658880
N,N'-bis(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1333301
1-(2-((4,6-Bis(diethylamino)-1,3,5-triazin-2-yl)oxy)ethyl)-3-phenylurea
CID 4364919
6-methoxy-N-[2-(4-morpholinyl)ethyl]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 694565
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-(4-methylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 1068748
N,N,N',N'-Tetramethyl-N''-phenyl-[1,3,5]triazine-2,4,6-triamine
CID 1090715

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine (CID 129304816) is 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Nc2cccc(F)c2)nc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is XUZLSLQOIKJMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F5N5O/c1-3-26(4-2)14-23-13(22-11-7-5-6-10(17)8-11)24-15(25-14)27-9-16(20,21)12(18)19/h5-8,12H,3-4,9H2,1-2H3,(H,22,23,24,25).
What are the key properties of 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 391.34 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129304816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).