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

C13H6F18N4 — CID 549849

IUPAC4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)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/C13H6F18N4/c1-35(2)5-33-3(6(8(14,15)16,9(17,18)19)10(20,21)22)32-4(34-5)7(11(23,24)25,12(26,27)28)13(29,30)31/h1-2H3
InChIKeyMOZGZPPNCXFJIP-UHFFFAOYSA-N
MW560.18 g/mol
LogP5.79
Rot. Bonds3

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

4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 549849) has the molecular formula C13H6F18N4 and a molecular weight of 560.18 g/mol. Its IUPAC name is 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID549849
Molecular FormulaC13H6F18N4
Molecular Weight560.18 g/mol
Exact Mass560.03
IUPAC Name4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)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/C13H6F18N4/c1-35(2)5-33-3(6(8(14,15)16,9(17,18)19)10(20,21)22)32-4(34-5)7(11(23,24)25,12(26,27)28)13(29,30)31/h1-2H3
InChIKeyMOZGZPPNCXFJIP-UHFFFAOYSA-N
XLogP5.79
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.18
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2,4,6-Tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
CID 11028301
2-Fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
CID 15522404
1,3,5-Triazine, 2-amino-4,6-bis(nonafluoro-tert-butyl)-
CID 549779
2,4,6-Tris(nonafluoro-t-butyl)-1,3,5-triazine
CID 549799
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-(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-(Propylamino)-4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 635903
1,3,5-Triazine, 2-diethylamino-4,6-bis(nonafluoro-tert-butyl)-
CID 636025
2-Tert-butyl-4-(trifluoromethyl)-1,3,5-triazine
CID 91070744

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 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) is 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)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 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is MOZGZPPNCXFJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F18N4/c1-35(2)5-33-3(6(8(14,15)16,9(17,18)19)10(20,21)22)32-4(34-5)7(11(23,24)25,12(26,27)28)13(29,30)31/h1-2H3.
What are the key properties of 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dimethyl-1,3,5-triazin-2-amine?
4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 560.18 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 549849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).