4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine

C11H17F4N5O — CID 106296179

IUPAC4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC(F)(F)C(F)F)nc(OC(C)C)n1
InChIInChI=1S/C11H17F4N5O/c1-4-16-8-18-9(17-5-11(14,15)7(12)13)20-10(19-8)21-6(2)3/h6-7H,4-5H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyGWGUJFOWUJWBCG-UHFFFAOYSA-N
MW311.28 g/mol
LogP2.40
Rot. Bonds8

About 4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 106296179) has the molecular formula C11H17F4N5O and a molecular weight of 311.28 g/mol. Its IUPAC name is 4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
PubChem CID106296179
Molecular FormulaC11H17F4N5O
Molecular Weight311.28 g/mol
Exact Mass311.14
IUPAC Name4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC(F)(F)C(F)F)nc(OC(C)C)n1
InChIInChI=1S/C11H17F4N5O/c1-4-16-8-18-9(17-5-11(14,15)7(12)13)20-10(19-8)21-6(2)3/h6-7H,4-5H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyGWGUJFOWUJWBCG-UHFFFAOYSA-N
XLogP2.40
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-ethoxy-4-N-ethyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296113
4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83145978
4-hydrazinyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80944783
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198621
4-ethoxy-6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106294470
6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296089
2-N-(2,3-dimethylbutyl)-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844599
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
CID 107772904
4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 106846977
2-methyl-1-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106296430
2-N-cyclobutyl-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80826015
1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol
CID 80915056

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine (CID 106296179) is 4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC(F)(F)C(F)F)nc(OC(C)C)n1.
What is the InChIKey of 4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GWGUJFOWUJWBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4N5O/c1-4-16-8-18-9(17-5-11(14,15)7(12)13)20-10(19-8)21-6(2)3/h6-7H,4-5H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 311.28 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106296179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).