2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine

C17H10F20N4 — CID 635712

IUPAC2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine
SMILESFC(F)(F)C(F)(F)C(c1nc(N2CCCCC2)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H10F20N4/c18-11(19,17(35,36)37)9(12(20,21)22,13(23,24)25)6-38-7(40-8(39-6)41-4-2-1-3-5-41)10(14(26,27)28,15(29,30)31)16(32,33)34/h1-5H2
InChIKeyXQHXHFDLODYIQB-UHFFFAOYSA-N
MW650.25 g/mol
LogP7.35
Rot. Bonds4

About 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine

2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 635712) has the molecular formula C17H10F20N4 and a molecular weight of 650.25 g/mol. Its IUPAC name is 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine
PubChem CID635712
Molecular FormulaC17H10F20N4
Molecular Weight650.25 g/mol
Exact Mass650.06
IUPAC Name2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine
SMILESFC(F)(F)C(F)(F)C(c1nc(N2CCCCC2)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H10F20N4/c18-11(19,17(35,36)37)9(12(20,21)22,13(23,24)25)6-38-7(40-8(39-6)41-4-2-1-3-5-41)10(14(26,27)28,15(29,30)31)16(32,33)34/h1-5H2
InChIKeyXQHXHFDLODYIQB-UHFFFAOYSA-N
XLogP7.35
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.25
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine with MolForge

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Related Compounds

4-(1,1,2,2,3,3,3-Heptafluoropropyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 164682313
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
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
1,3,5-Triazine, 2-piperidino-4,6-bis(perfluoro-tert-butyl)-
CID 549900
1,3,5-Triazine, 2-diethylamino-4,6-bis(nonafluoro-tert-butyl)-
CID 636025
6-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 156220402
2-(3,3-Difluoropiperidin-1-yl)-4,6-dimethyl-1,3,5-triazine
CID 162575305
2,4-Ditert-butyl-6-piperidin-1-yl-1,3,5-triazine
CID 101901512

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine (CID 635712) is 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine is FC(F)(F)C(F)(F)C(c1nc(N2CCCCC2)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is XQHXHFDLODYIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F20N4/c18-11(19,17(35,36)37)9(12(20,21)22,13(23,24)25)6-38-7(40-8(39-6)41-4-2-1-3-5-41)10(14(26,27)28,15(29,30)31)16(32,33)34/h1-5H2.
What are the key properties of 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine?
2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 650.25 g/mol, XLogP of 7.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl]-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 635712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).