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

C15H10F18N4 — CID 636025

IUPACN,N-diethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(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/C15H10F18N4/c1-3-37(4-2)7-35-5(8(10(16,17)18,11(19,20)21)12(22,23)24)34-6(36-7)9(13(25,26)27,14(28,29)30)15(31,32)33/h3-4H2,1-2H3
InChIKeyNEVINHWFOUYVSI-UHFFFAOYSA-N
MW588.24 g/mol
LogP6.57
Rot. Bonds5

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

N,N-diethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine (PubChem CID 636025) has the molecular formula C15H10F18N4 and a molecular weight of 588.24 g/mol. Its IUPAC name is N,N-diethyl-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,N-diethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine
PubChem CID636025
Molecular FormulaC15H10F18N4
Molecular Weight588.24 g/mol
Exact Mass588.06
IUPAC NameN,N-diethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(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/C15H10F18N4/c1-3-37(4-2)7-35-5(8(10(16,17)18,11(19,20)21)12(22,23)24)34-6(36-7)9(13(25,26)27,14(28,29)30)15(31,32)33/h3-4H2,1-2H3
InChIKeyNEVINHWFOUYVSI-UHFFFAOYSA-N
XLogP6.57
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.24
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 178327053
2-(Dipropylamino)-4-[2,2,3,3,3-pentafluoro-1,1-bis(trifluoromethyl)propyl]-6-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 536260
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
1,3,5-Triazine, 2-(perhydroazepin-1-yl)-4,6-bis(perfluoro-tert-butyl)-
CID 549571
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
1,3,5-Triazine, 2-piperidino-4,6-bis(perfluoro-tert-butyl)-
CID 549900
2-(Ethylamino)-4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 549911
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
2-[2,2,3,3,3-Pentafluoro-1,1-bis(trifluoromethyl)propyl]-4-piperidino-6-[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 635712
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,N-diethyl-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,N-diethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine (CID 636025) is N,N-diethyl-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,N-diethyl-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,N-diethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine is CCN(CC)c1nc(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,N-diethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine?
The InChIKey is NEVINHWFOUYVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F18N4/c1-3-37(4-2)7-35-5(8(10(16,17)18,11(19,20)21)12(22,23)24)34-6(36-7)9(13(25,26)27,14(28,29)30)15(31,32)33/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine?
N,N-diethyl-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 588.24 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-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 636025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).