4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C11H12F7N5 — CID 164682313

IUPAC4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCCCC2)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C11H12F7N5/c12-9(13,10(14,15)11(16,17)18)6-20-7(19)22-8(21-6)23-4-2-1-3-5-23/h1-5H2,(H2,19,20,21,22)
InChIKeyKPFWICOUNXNWNZ-UHFFFAOYSA-N
MW347.24 g/mol
LogP2.73
Rot. Bonds3

About 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 164682313) has the molecular formula C11H12F7N5 and a molecular weight of 347.24 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID164682313
Molecular FormulaC11H12F7N5
Molecular Weight347.24 g/mol
Exact Mass347.10
IUPAC Name4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCCCC2)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C11H12F7N5/c12-9(13,10(14,15)11(16,17)18)6-20-7(19)22-8(21-6)23-4-2-1-3-5-23/h1-5H2,(H2,19,20,21,22)
InChIKeyKPFWICOUNXNWNZ-UHFFFAOYSA-N
XLogP2.73
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 164682313) is 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(N2CCCCC2)nc(C(F)(F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is KPFWICOUNXNWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F7N5/c12-9(13,10(14,15)11(16,17)18)6-20-7(19)22-8(21-6)23-4-2-1-3-5-23/h1-5H2,(H2,19,20,21,22).
What are the key properties of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 347.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 164682313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).