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

C18H14F20N4 — CID 536260

IUPAC4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-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)C(F)(F)F)n1
InChIInChI=1S/C18H14F20N4/c1-3-5-42(6-4-2)9-40-7(10(13(21,22)23,14(24,25)26)12(19,20)18(36,37)38)39-8(41-9)11(15(27,28)29,16(30,31)32)17(33,34)35/h3-6H2,1-2H3
InChIKeyLOPMFBWSYRSLNP-UHFFFAOYSA-N
MW666.30 g/mol
LogP7.98
Rot. Bonds8

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

4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine (PubChem CID 536260) has the molecular formula C18H14F20N4 and a molecular weight of 666.30 g/mol. Its IUPAC name is 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine
PubChem CID536260
Molecular FormulaC18H14F20N4
Molecular Weight666.30 g/mol
Exact Mass666.09
IUPAC Name4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-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)C(F)(F)F)n1
InChIInChI=1S/C18H14F20N4/c1-3-5-42(6-4-2)9-40-7(10(13(21,22)23,14(24,25)26)12(19,20)18(36,37)38)39-8(41-9)11(15(27,28)29,16(30,31)32)17(33,34)35/h3-6H2,1-2H3
InChIKeyLOPMFBWSYRSLNP-UHFFFAOYSA-N
XLogP7.98
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.30
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

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
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
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-(tert-Butylamino)-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 557753
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-diethylamino-4,6-bis(nonafluoro-tert-butyl)-
CID 636025
2-Tert-butyl-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 139574528
6-tert-butyl-2-N,2-N,4-N,4-N-tetrakis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 132080631
2-N,2-N,4-N-tributyl-6-tert-butyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 134315282

Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine (CID 536260) is 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-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)C(F)(F)F)n1.
What is the InChIKey of 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine?
The InChIKey is LOPMFBWSYRSLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F20N4/c1-3-5-42(6-4-2)9-40-7(10(13(21,22)23,14(24,25)26)12(19,20)18(36,37)38)39-8(41-9)11(15(27,28)29,16(30,31)32)17(33,34)35/h3-6H2,1-2H3.
What are the key properties of 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine?
4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine has a molecular weight of 666.30 g/mol, XLogP of 7.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-N,N-dipropyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 536260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).