6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine

C5H5F4N5 — CID 14772531

IUPAC6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C(F)(F)C(F)F)n1
InChIInChI=1S/C5H5F4N5/c6-1(7)5(8,9)2-12-3(10)14-4(11)13-2/h1H,(H4,10,11,12,13,14)
InChIKeyFCZJSUOEPVGHMO-UHFFFAOYSA-N
MW211.12 g/mol
LogP0.39
Rot. Bonds2

About 6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine

6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 14772531) has the molecular formula C5H5F4N5 and a molecular weight of 211.12 g/mol. Its IUPAC name is 6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID14772531
Molecular FormulaC5H5F4N5
Molecular Weight211.12 g/mol
Exact Mass211.05
IUPAC Name6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C(F)(F)C(F)F)n1
InChIInChI=1S/C5H5F4N5/c6-1(7)5(8,9)2-12-3(10)14-4(11)13-2/h1H,(H4,10,11,12,13,14)
InChIKeyFCZJSUOEPVGHMO-UHFFFAOYSA-N
XLogP0.39
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.12
LogP ≤ 50.39
H-Bond Donors ≤ 52
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 6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine (CID 14772531) is 6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C(F)(F)C(F)F)n1.
What is the InChIKey of 6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FCZJSUOEPVGHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F4N5/c6-1(7)5(8,9)2-12-3(10)14-4(11)13-2/h1H,(H4,10,11,12,13,14).
What are the key properties of 6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine?
6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 211.12 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14772531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).