6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine

C18H26FN5O2 — CID 142961202

IUPAC6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCC(CCC)Nc1nc(NC)nc(OOc2ccccc2F)n1
InChIInChI=1S/C18H26FN5O2/c1-4-6-10-13(9-5-2)21-17-22-16(20-3)23-18(24-17)26-25-15-12-8-7-11-14(15)19/h7-8,11-13H,4-6,9-10H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyNWASKMPHHAWQOU-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.20
Rot. Bonds11

About 6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine

6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 142961202) has the molecular formula C18H26FN5O2 and a molecular weight of 363.44 g/mol. Its IUPAC name is 6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID142961202
Molecular FormulaC18H26FN5O2
Molecular Weight363.44 g/mol
Exact Mass363.21
IUPAC Name6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCC(CCC)Nc1nc(NC)nc(OOc2ccccc2F)n1
InChIInChI=1S/C18H26FN5O2/c1-4-6-10-13(9-5-2)21-17-22-16(20-3)23-18(24-17)26-25-15-12-8-7-11-14(15)19/h7-8,11-13H,4-6,9-10H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyNWASKMPHHAWQOU-UHFFFAOYSA-N
XLogP4.20
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine (CID 142961202) is 6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine is CCCCC(CCC)Nc1nc(NC)nc(OOc2ccccc2F)n1.
What is the InChIKey of 6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is NWASKMPHHAWQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN5O2/c1-4-6-10-13(9-5-2)21-17-22-16(20-3)23-18(24-17)26-25-15-12-8-7-11-14(15)19/h7-8,11-13H,4-6,9-10H2,1-3H3,(H2,20,21,22,23,24).
What are the key properties of 6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine?
6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 363.44 g/mol, XLogP of 4.20, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)peroxy-4-N-methyl-2-N-octan-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 142961202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).