4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine

C11H3Cl2F15N4 — CID 10816414

IUPAC4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H3Cl2F15N4/c12-2-30-3(13)32-4(31-2)29-1-5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1H2,(H,29,30,31,32)
InChIKeyIABJPBBALGOPJY-UHFFFAOYSA-N
MW547.05 g/mol
LogP5.96
Rot. Bonds8

About 4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine (PubChem CID 10816414) has the molecular formula C11H3Cl2F15N4 and a molecular weight of 547.05 g/mol. Its IUPAC name is 4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine
PubChem CID10816414
Molecular FormulaC11H3Cl2F15N4
Molecular Weight547.05 g/mol
Exact Mass545.95
IUPAC Name4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H3Cl2F15N4/c12-2-30-3(13)32-4(31-2)29-1-5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1H2,(H,29,30,31,32)
InChIKeyIABJPBBALGOPJY-UHFFFAOYSA-N
XLogP5.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.05
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine (CID 10816414) is 4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine?
The InChIKey is IABJPBBALGOPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3Cl2F15N4/c12-2-30-3(13)32-4(31-2)29-1-5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1H2,(H,29,30,31,32).
What are the key properties of 4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine has a molecular weight of 547.05 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 10816414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).