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

C16H10F18N4 — CID 549900

IUPAC2,4-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-piperidin-1-yl-1,3,5-triazine
SMILESFC(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/C16H10F18N4/c17-11(18,19)9(12(20,21)22,13(23,24)25)6-35-7(37-8(36-6)38-4-2-1-3-5-38)10(14(26,27)28,15(29,30)31)16(32,33)34/h1-5H2
InChIKeyQEDMPDTYQUGUMK-UHFFFAOYSA-N
MW600.25 g/mol
LogP6.71
Rot. Bonds3

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

2,4-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 549900) has the molecular formula C16H10F18N4 and a molecular weight of 600.25 g/mol. Its IUPAC name is 2,4-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-piperidin-1-yl-1,3,5-triazine
PubChem CID549900
Molecular FormulaC16H10F18N4
Molecular Weight600.25 g/mol
Exact Mass600.06
IUPAC Name2,4-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-piperidin-1-yl-1,3,5-triazine
SMILESFC(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/C16H10F18N4/c17-11(18,19)9(12(20,21)22,13(23,24)25)6-35-7(37-8(36-6)38-4-2-1-3-5-38)10(14(26,27)28,15(29,30)31)16(32,33)34/h1-5H2
InChIKeyQEDMPDTYQUGUMK-UHFFFAOYSA-N
XLogP6.71
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.25
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-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
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
1,3,5-Triazine, 2-diethylamino-4,6-bis(nonafluoro-tert-butyl)-
CID 636025
2,4-Dipiperidin-1-yl-6-(trifluoromethyl)-1,3,5-triazine
CID 638715
2-Fluoro-4-methyl-6-piperidin-1-yl-1,3,5-triazine
CID 53827759
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
4-(4,4-Difluoropiperidin-1-yl)-6-methyl-1,3,5-triazin-2-amine
CID 171825010

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2,4-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-piperidin-1-yl-1,3,5-triazine (CID 549900) is 2,4-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2,4-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-piperidin-1-yl-1,3,5-triazine is FC(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 2,4-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is QEDMPDTYQUGUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F18N4/c17-11(18,19)9(12(20,21)22,13(23,24)25)6-35-7(37-8(36-6)38-4-2-1-3-5-38)10(14(26,27)28,15(29,30)31)16(32,33)34/h1-5H2.
What are the key properties of 2,4-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-piperidin-1-yl-1,3,5-triazine?
2,4-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 600.25 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 549900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).