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

C16H17F6N5O — CID 1381792

IUPAC2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C16H17F6N5O/c1-3-27(4-2)13-24-12(23-10-8-6-5-7-9-10)25-14(26-13)28-11(15(17,18)19)16(20,21)22/h5-9,11H,3-4H2,1-2H3,(H,23,24,25,26)
InChIKeyIYBYNKMFAKRALS-UHFFFAOYSA-N
MW409.33 g/mol
LogP4.33
Rot. Bonds7

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

2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 1381792) has the molecular formula C16H17F6N5O and a molecular weight of 409.33 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-phenyl-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-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID1381792
Molecular FormulaC16H17F6N5O
Molecular Weight409.33 g/mol
Exact Mass409.13
IUPAC Name2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C16H17F6N5O/c1-3-27(4-2)13-24-12(23-10-8-6-5-7-9-10)25-14(26-13)28-11(15(17,18)19)16(20,21)22/h5-9,11H,3-4H2,1-2H3,(H,23,24,25,26)
InChIKeyIYBYNKMFAKRALS-UHFFFAOYSA-N
XLogP4.33
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.33
LogP ≤ 54.33
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-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-phenyl-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-phenyl-1,3,5-triazine-2,4-diamine (CID 1381792) is 2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-phenyl-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-phenyl-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-phenyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Nc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IYBYNKMFAKRALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F6N5O/c1-3-27(4-2)13-24-12(23-10-8-6-5-7-9-10)25-14(26-13)28-11(15(17,18)19)16(20,21)22/h5-9,11H,3-4H2,1-2H3,(H,23,24,25,26).
What are the key properties of 2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 409.33 g/mol, XLogP of 4.33, 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-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1381792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).