2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine

C10H2F15N3 — CID 18974137

IUPAC2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ncncn1
InChIInChI=1S/C10H2F15N3/c11-4(12,3-27-1-26-2-28-3)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H
InChIKeyIDQQCBZXMXIMDV-UHFFFAOYSA-N
MW449.12 g/mol
LogP4.70
Rot. Bonds6

About 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine

2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine (PubChem CID 18974137) has the molecular formula C10H2F15N3 and a molecular weight of 449.12 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine
PubChem CID18974137
Molecular FormulaC10H2F15N3
Molecular Weight449.12 g/mol
Exact Mass449.00
IUPAC Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ncncn1
InChIInChI=1S/C10H2F15N3/c11-4(12,3-27-1-26-2-28-3)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H
InChIKeyIDQQCBZXMXIMDV-UHFFFAOYSA-N
XLogP4.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.12
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine (CID 18974137) is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ncncn1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine?
The InChIKey is IDQQCBZXMXIMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F15N3/c11-4(12,3-27-1-26-2-28-3)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H.
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine?
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine has a molecular weight of 449.12 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine is sourced from PubChem (CID 18974137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).