4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine

C13H13F4N5O — CID 129285899

IUPAC4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C13H13F4N5O/c1-18-10-20-11(19-8-5-3-2-4-6-8)22-12(21-10)23-7-13(16,17)9(14)15/h2-6,9H,7H2,1H3,(H2,18,19,20,21,22)
InChIKeyUFPNHTFOOMLHLD-UHFFFAOYSA-N
MW331.27 g/mol
LogP2.94
Rot. Bonds7

About 4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine

4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 129285899) has the molecular formula C13H13F4N5O and a molecular weight of 331.27 g/mol. Its IUPAC name is 4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
PubChem CID129285899
Molecular FormulaC13H13F4N5O
Molecular Weight331.27 g/mol
Exact Mass331.11
IUPAC Name4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C13H13F4N5O/c1-18-10-20-11(19-8-5-3-2-4-6-8)22-12(21-10)23-7-13(16,17)9(14)15/h2-6,9H,7H2,1H3,(H2,18,19,20,21,22)
InChIKeyUFPNHTFOOMLHLD-UHFFFAOYSA-N
XLogP2.94
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine (CID 129285899) is 4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2ccccc2)nc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is UFPNHTFOOMLHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4N5O/c1-18-10-20-11(19-8-5-3-2-4-6-8)22-12(21-10)23-7-13(16,17)9(14)15/h2-6,9H,7H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 331.27 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129285899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).