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

C9H12F6N6 — CID 132607734

IUPAC2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine
SMILESFC(F)CNc1nc(NCC(F)F)nc(NCC(F)F)n1
InChIInChI=1S/C9H12F6N6/c10-4(11)1-16-7-19-8(17-2-5(12)13)21-9(20-7)18-3-6(14)15/h4-6H,1-3H2,(H3,16,17,18,19,20,21)
InChIKeyDMLXCQQILYEGRK-UHFFFAOYSA-N
MW318.23 g/mol
LogP1.90
Rot. Bonds9

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

2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 132607734) has the molecular formula C9H12F6N6 and a molecular weight of 318.23 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID132607734
Molecular FormulaC9H12F6N6
Molecular Weight318.23 g/mol
Exact Mass318.10
IUPAC Name2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine
SMILESFC(F)CNc1nc(NCC(F)F)nc(NCC(F)F)n1
InChIInChI=1S/C9H12F6N6/c10-4(11)1-16-7-19-8(17-2-5(12)13)21-9(20-7)18-3-6(14)15/h4-6H,1-3H2,(H3,16,17,18,19,20,21)
InChIKeyDMLXCQQILYEGRK-UHFFFAOYSA-N
XLogP1.90
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(trifluoromethyl)-
CID 12871
1,3,5-Triazine-2,4,6-triamine, N,N'-diethyl-
CID 21816
Triethylmelamine
CID 27778
[[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
2,4-Diamino-6-ethylamino-1,3,5-triazine
CID 21819
2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 10384630
4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 13063
6-fluoro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 34926
2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine
CID 12611
2-N,2-N,4-N-triethyl-6-fluoro-1,3,5-triazine-2,4-diamine
CID 19634
N-ethyl-4,6-difluoro-1,3,5-triazin-2-amine
CID 35292

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine (CID 132607734) is 2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine is FC(F)CNc1nc(NCC(F)F)nc(NCC(F)F)n1.
What is the InChIKey of 2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DMLXCQQILYEGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6N6/c10-4(11)1-16-7-19-8(17-2-5(12)13)21-9(20-7)18-3-6(14)15/h4-6H,1-3H2,(H3,16,17,18,19,20,21).
What are the key properties of 2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 318.23 g/mol, XLogP of 1.90, 9 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-difluoroethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 132607734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).