2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C13H17F6N5O — CID 17065367

IUPAC2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(CC)CC)n1
InChIInChI=1S/C13H17F6N5O/c1-4-7-20-9-21-10(24(5-2)6-3)23-11(22-9)25-8(12(14,15)16)13(17,18)19/h4,8H,1,5-7H2,2-3H3,(H,20,21,22,23)
InChIKeyQYXYAYQOXVGBOG-UHFFFAOYSA-N
MW373.30 g/mol
LogP3.19
Rot. Bonds8

About 2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 17065367) has the molecular formula C13H17F6N5O and a molecular weight of 373.30 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID17065367
Molecular FormulaC13H17F6N5O
Molecular Weight373.30 g/mol
Exact Mass373.13
IUPAC Name2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(CC)CC)n1
InChIInChI=1S/C13H17F6N5O/c1-4-7-20-9-21-10(24(5-2)6-3)23-11(22-9)25-8(12(14,15)16)13(17,18)19/h4,8H,1,5-7H2,2-3H3,(H,20,21,22,23)
InChIKeyQYXYAYQOXVGBOG-UHFFFAOYSA-N
XLogP3.19
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 17065367) is 2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QYXYAYQOXVGBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F6N5O/c1-4-7-20-9-21-10(24(5-2)6-3)23-11(22-9)25-8(12(14,15)16)13(17,18)19/h4,8H,1,5-7H2,2-3H3,(H,20,21,22,23).
What are the key properties of 2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 373.30 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17065367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).