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

C16H16F7N5O — CID 129304813

IUPAC2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(F)c2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C16H16F7N5O/c1-3-28(4-2)13-25-12(24-10-7-5-6-9(17)8-10)26-14(27-13)29-11(15(18,19)20)16(21,22)23/h5-8,11H,3-4H2,1-2H3,(H,24,25,26,27)
InChIKeyHNJWRPYNYSNDSX-UHFFFAOYSA-N
MW427.32 g/mol
LogP4.47
Rot. Bonds7

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

2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine (PubChem CID 129304813) has the molecular formula C16H16F7N5O and a molecular weight of 427.32 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
PubChem CID129304813
Molecular FormulaC16H16F7N5O
Molecular Weight427.32 g/mol
Exact Mass427.12
IUPAC Name2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(F)c2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C16H16F7N5O/c1-3-28(4-2)13-25-12(24-10-7-5-6-9(17)8-10)26-14(27-13)29-11(15(18,19)20)16(21,22)23/h5-8,11H,3-4H2,1-2H3,(H,24,25,26,27)
InChIKeyHNJWRPYNYSNDSX-UHFFFAOYSA-N
XLogP4.47
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine (CID 129304813) is 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Nc2cccc(F)c2)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is HNJWRPYNYSNDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F7N5O/c1-3-28(4-2)13-25-12(24-10-7-5-6-9(17)8-10)26-14(27-13)29-11(15(18,19)20)16(21,22)23/h5-8,11H,3-4H2,1-2H3,(H,24,25,26,27).
What are the key properties of 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 427.32 g/mol, XLogP of 4.47, 7 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-4-N-(3-fluorophenyl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129304813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).