6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine

C22H21F18N9 — CID 550533

IUPAC6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(Nc2nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n2)nc(N(CC)CC)n1
InChIInChI=1S/C22H21F18N9/c1-5-48(6-2)13-45-12(46-14(47-13)49(7-3)8-4)44-11-42-9(15(17(23,24)25,18(26,27)28)19(29,30)31)41-10(43-11)16(20(32,33)34,21(35,36)37)22(38,39)40/h5-8H2,1-4H3,(H,41,42,43,44,45,46,47)
InChIKeyOFIUKCGKDXDEOP-UHFFFAOYSA-N
MW753.44 g/mol
LogP7.34
Rot. Bonds10

About 6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine

6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 550533) has the molecular formula C22H21F18N9 and a molecular weight of 753.44 g/mol. Its IUPAC name is 6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID550533
Molecular FormulaC22H21F18N9
Molecular Weight753.44 g/mol
Exact Mass753.16
IUPAC Name6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(Nc2nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n2)nc(N(CC)CC)n1
InChIInChI=1S/C22H21F18N9/c1-5-48(6-2)13-45-12(46-14(47-13)49(7-3)8-4)44-11-42-9(15(17(23,24)25,18(26,27)28)19(29,30)31)41-10(43-11)16(20(32,33)34,21(35,36)37)22(38,39)40/h5-8H2,1-4H3,(H,41,42,43,44,45,46,47)
InChIKeyOFIUKCGKDXDEOP-UHFFFAOYSA-N
XLogP7.34
TPSA95.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.44
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine (CID 550533) is 6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(Nc2nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n2)nc(N(CC)CC)n1.
What is the InChIKey of 6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OFIUKCGKDXDEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F18N9/c1-5-48(6-2)13-45-12(46-14(47-13)49(7-3)8-4)44-11-42-9(15(17(23,24)25,18(26,27)28)19(29,30)31)41-10(43-11)16(20(32,33)34,21(35,36)37)22(38,39)40/h5-8H2,1-4H3,(H,41,42,43,44,45,46,47).
What are the key properties of 6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine?
6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 753.44 g/mol, XLogP of 7.34, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 550533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).