2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine

C8H10F5N5 — CID 139724207

IUPAC2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(CC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C8H10F5N5/c1-2-15-6-17-4(16-5(14)18-6)3-7(9,10)8(11,12)13/h2-3H2,1H3,(H3,14,15,16,17,18)
InChIKeyKWKUVLHSQZFHFK-UHFFFAOYSA-N
MW271.19 g/mol
LogP1.63
Rot. Bonds4

About 2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine

2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 139724207) has the molecular formula C8H10F5N5 and a molecular weight of 271.19 g/mol. Its IUPAC name is 2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine
PubChem CID139724207
Molecular FormulaC8H10F5N5
Molecular Weight271.19 g/mol
Exact Mass271.09
IUPAC Name2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(CC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C8H10F5N5/c1-2-15-6-17-4(16-5(14)18-6)3-7(9,10)8(11,12)13/h2-3H2,1H3,(H3,14,15,16,17,18)
InChIKeyKWKUVLHSQZFHFK-UHFFFAOYSA-N
XLogP1.63
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 51.63
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 2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine (CID 139724207) is 2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(N)nc(CC(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KWKUVLHSQZFHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5N5/c1-2-15-6-17-4(16-5(14)18-6)3-7(9,10)8(11,12)13/h2-3H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine?
2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 271.19 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-(2,2,3,3,3-pentafluoropropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139724207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).