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

C17H14F18N4 — CID 541429

IUPAC4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine
SMILESCCCN(CCC)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/C17H14F18N4/c1-3-5-39(6-4-2)9-37-7(10(12(18,19)20,13(21,22)23)14(24,25)26)36-8(38-9)11(15(27,28)29,16(30,31)32)17(33,34)35/h3-6H2,1-2H3
InChIKeyDTXSZKAEIZGFJV-UHFFFAOYSA-N
MW616.29 g/mol
LogP7.35
Rot. Bonds7

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

4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine (PubChem CID 541429) has the molecular formula C17H14F18N4 and a molecular weight of 616.29 g/mol. Its IUPAC name is 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dipropyl-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-dipropyl-1,3,5-triazin-2-amine
PubChem CID541429
Molecular FormulaC17H14F18N4
Molecular Weight616.29 g/mol
Exact Mass616.09
IUPAC Name4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine
SMILESCCCN(CCC)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/C17H14F18N4/c1-3-5-39(6-4-2)9-37-7(10(12(18,19)20,13(21,22)23)14(24,25)26)36-8(38-9)11(15(27,28)29,16(30,31)32)17(33,34)35/h3-6H2,1-2H3
InChIKeyDTXSZKAEIZGFJV-UHFFFAOYSA-N
XLogP7.35
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.29
LogP ≤ 57.35
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-dipropyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(Hexahydroazepin-1-yl)-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 534650
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
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
N-[4,6-Bis(diethylamino)-1,3,5-triazin-2-yl]-N-(4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazin-2-yl)amine
CID 550533
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 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dipropyl-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-dipropyl-1,3,5-triazin-2-amine (CID 541429) is 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dipropyl-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-dipropyl-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-dipropyl-1,3,5-triazin-2-amine is CCCN(CCC)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-dipropyl-1,3,5-triazin-2-amine?
The InChIKey is DTXSZKAEIZGFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F18N4/c1-3-5-39(6-4-2)9-37-7(10(12(18,19)20,13(21,22)23)14(24,25)26)36-8(38-9)11(15(27,28)29,16(30,31)32)17(33,34)35/h3-6H2,1-2H3.
What are the key properties of 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine?
4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine has a molecular weight of 616.29 g/mol, XLogP of 7.35, 7 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-dipropyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 541429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).