N-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C14H12F6N4O2 — CID 1069460

IUPACN-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(NCc2ccccc2)nc(OCC(F)(F)F)n1
InChIInChI=1S/C14H12F6N4O2/c15-13(16,17)7-25-11-22-10(21-6-9-4-2-1-3-5-9)23-12(24-11)26-8-14(18,19)20/h1-5H,6-8H2,(H,21,22,23,24)
InChIKeyXTWZAAMFTDLUFS-UHFFFAOYSA-N
MW382.26 g/mol
LogP3.37
Rot. Bonds7

About N-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

N-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 1069460) has the molecular formula C14H12F6N4O2 and a molecular weight of 382.26 g/mol. Its IUPAC name is N-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID1069460
Molecular FormulaC14H12F6N4O2
Molecular Weight382.26 g/mol
Exact Mass382.09
IUPAC NameN-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESFC(F)(F)COc1nc(NCc2ccccc2)nc(OCC(F)(F)F)n1
InChIInChI=1S/C14H12F6N4O2/c15-13(16,17)7-25-11-22-10(21-6-9-4-2-1-3-5-9)23-12(24-11)26-8-14(18,19)20/h1-5H,6-8H2,(H,21,22,23,24)
InChIKeyXTWZAAMFTDLUFS-UHFFFAOYSA-N
XLogP3.37
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 1069460) is N-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is FC(F)(F)COc1nc(NCc2ccccc2)nc(OCC(F)(F)F)n1.
What is the InChIKey of N-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is XTWZAAMFTDLUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N4O2/c15-13(16,17)7-25-11-22-10(21-6-9-4-2-1-3-5-9)23-12(24-11)26-8-14(18,19)20/h1-5H,6-8H2,(H,21,22,23,24).
What are the key properties of N-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 382.26 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1069460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).