2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine

C9H9F9N6 — CID 10384630

IUPAC2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
SMILESFC(F)(F)CNc1nc(NCC(F)(F)F)nc(NCC(F)(F)F)n1
InChIInChI=1S/C9H9F9N6/c10-7(11,12)1-19-4-22-5(20-2-8(13,14)15)24-6(23-4)21-3-9(16,17)18/h1-3H2,(H3,19,20,21,22,23,24)
InChIKeyDJJKXASLTAFMJK-UHFFFAOYSA-N
MW372.20 g/mol
LogP2.79
Rot. Bonds6

About 2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 10384630) has the molecular formula C9H9F9N6 and a molecular weight of 372.20 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID10384630
Molecular FormulaC9H9F9N6
Molecular Weight372.20 g/mol
Exact Mass372.07
IUPAC Name2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
SMILESFC(F)(F)CNc1nc(NCC(F)(F)F)nc(NCC(F)(F)F)n1
InChIInChI=1S/C9H9F9N6/c10-7(11,12)1-19-4-22-5(20-2-8(13,14)15)24-6(23-4)21-3-9(16,17)18/h1-3H2,(H3,19,20,21,22,23,24)
InChIKeyDJJKXASLTAFMJK-UHFFFAOYSA-N
XLogP2.79
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

[[4,6-Bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 9978430
2-Fluoro-4,6-bis[(2,2,2-trifluoroethyl)amino]-1,3,5-triazine
CID 10447086
[[4-(Methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10019773
2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 132607734
2-Fluoro-4,6-bis(propargylamino)-1,3,5-triazine
CID 10104384
2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine
CID 12611
N-ethyl-4,6-difluoro-1,3,5-triazin-2-amine
CID 35292
2-N,2-N,4-N,4-N-tetramethyl-6-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 10038427
6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 10425108
[[4-[Hydroxymethyl(2,2,2-trifluoroethyl)amino]-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10477894
4,6-Difluoro-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine
CID 13235955
4-N-ethyl-6-fluoro-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 13235957

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine (CID 10384630) is 2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine is FC(F)(F)CNc1nc(NCC(F)(F)F)nc(NCC(F)(F)F)n1.
What is the InChIKey of 2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DJJKXASLTAFMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9N6/c10-7(11,12)1-19-4-22-5(20-2-8(13,14)15)24-6(23-4)21-3-9(16,17)18/h1-3H2,(H3,19,20,21,22,23,24).
What are the key properties of 2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 372.20 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 10384630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).