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

C13H11F6N5O — CID 3942679

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C13H11F6N5O/c1-20-9-22-10(21-7-5-3-2-4-6-7)24-11(23-9)25-8(12(14,15)16)13(17,18)19/h2-6,8H,1H3,(H2,20,21,22,23,24)
InChIKeyIQWQRKAECXHZKW-UHFFFAOYSA-N
MW367.25 g/mol
LogP3.53
Rot. Bonds5

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

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 3942679) has the molecular formula C13H11F6N5O and a molecular weight of 367.25 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID3942679
Molecular FormulaC13H11F6N5O
Molecular Weight367.25 g/mol
Exact Mass367.09
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C13H11F6N5O/c1-20-9-22-10(21-7-5-3-2-4-6-7)24-11(23-9)25-8(12(14,15)16)13(17,18)19/h2-6,8H,1H3,(H2,20,21,22,23,24)
InChIKeyIQWQRKAECXHZKW-UHFFFAOYSA-N
XLogP3.53
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 3942679) is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IQWQRKAECXHZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6N5O/c1-20-9-22-10(21-7-5-3-2-4-6-7)24-11(23-9)25-8(12(14,15)16)13(17,18)19/h2-6,8H,1H3,(H2,20,21,22,23,24).
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 367.25 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3942679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).