N-ethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine

C13H6F18N4 — CID 549911

IUPACN-ethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine
SMILESCCNc1nc(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)n1
InChIInChI=1S/C13H6F18N4/c1-2-32-5-34-3(6(8(14,15)16,9(17,18)19)10(20,21)22)33-4(35-5)7(11(23,24)25,12(26,27)28)13(29,30)31/h2H2,1H3,(H,32,33,34,35)
InChIKeyZQMKBKDQDBQWLS-UHFFFAOYSA-N
MW560.18 g/mol
LogP6.15
Rot. Bonds4

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

N-ethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine (PubChem CID 549911) has the molecular formula C13H6F18N4 and a molecular weight of 560.18 g/mol. Its IUPAC name is N-ethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine
PubChem CID549911
Molecular FormulaC13H6F18N4
Molecular Weight560.18 g/mol
Exact Mass560.03
IUPAC NameN-ethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine
SMILESCCNc1nc(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)n1
InChIInChI=1S/C13H6F18N4/c1-2-32-5-34-3(6(8(14,15)16,9(17,18)19)10(20,21)22)33-4(35-5)7(11(23,24)25,12(26,27)28)13(29,30)31/h2H2,1H3,(H,32,33,34,35)
InChIKeyZQMKBKDQDBQWLS-UHFFFAOYSA-N
XLogP6.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.18
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(trifluoromethyl)-
CID 12871
s-Triazine, 2-isopropylamino-4-methylamino-6-trifluoromethyl-
CID 3041963
N~2~-(Butan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4(1H,3H)-diimine
CID 3041965
1,3,5-Triazin-2-amine, N-ethyl-4-methyl-6-(trifluoromethyl)-
CID 3041968
4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine
CID 541429
2,4-Bis[perfluoromethyl]-6-[[(3-dimethylamino)propyl]amino]-1,2,3-triazine
CID 547272
4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 549849
4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N-methyl-1,3,5-triazin-2-amine
CID 549970
1,3,5-Triazine, 2-allylamino-4,6-bis(nonafluoro-tert-butyl)-
CID 550109
2-Amino-4-(butylamino)-6-(trifluoromethyl)-1,3,5-triazine
CID 606072
2-(Propylamino)-4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 635903
1,3,5-Triazine, 2-isopropylamino-4,6-bis(nonafluoro-tert-butyl)-
CID 635970

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine (CID 549911) is N-ethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine is CCNc1nc(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)n1.
What is the InChIKey of N-ethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine?
The InChIKey is ZQMKBKDQDBQWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F18N4/c1-2-32-5-34-3(6(8(14,15)16,9(17,18)19)10(20,21)22)33-4(35-5)7(11(23,24)25,12(26,27)28)13(29,30)31/h2H2,1H3,(H,32,33,34,35).
What are the key properties of N-ethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine?
N-ethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine has a molecular weight of 560.18 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 549911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).