6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine

C11H18F3N5O — CID 115523177

IUPAC6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCCCCC(F)(F)F)n1
InChIInChI=1S/C11H18F3N5O/c1-7(2)20-10-18-8(15)17-9(19-10)16-6-4-3-5-11(12,13)14/h7H,3-6H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyXUYGLNGUXXDWEU-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.39
Rot. Bonds7

About 6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine

6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine (PubChem CID 115523177) has the molecular formula C11H18F3N5O and a molecular weight of 293.29 g/mol. Its IUPAC name is 6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine
PubChem CID115523177
Molecular FormulaC11H18F3N5O
Molecular Weight293.29 g/mol
Exact Mass293.15
IUPAC Name6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCCCCC(F)(F)F)n1
InChIInChI=1S/C11H18F3N5O/c1-7(2)20-10-18-8(15)17-9(19-10)16-6-4-3-5-11(12,13)14/h7H,3-6H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyXUYGLNGUXXDWEU-UHFFFAOYSA-N
XLogP2.39
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine (CID 115523177) is 6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(NCCCCC(F)(F)F)n1.
What is the InChIKey of 6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XUYGLNGUXXDWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5O/c1-7(2)20-10-18-8(15)17-9(19-10)16-6-4-3-5-11(12,13)14/h7H,3-6H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine?
6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 293.29 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-2-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 115523177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).