2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone

C24H28F6N6O2 — CID 58039922

IUPAC2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(OCC(F)(F)F)n2)CC1
InChIInChI=1S/C24H28F6N6O2/c25-23(26,27)15-38-22-33-20(31-18-8-4-7-17(14-18)24(28,29)30)32-21(34-22)36-11-9-35(10-12-36)19(37)13-16-5-2-1-3-6-16/h4,7-8,14,16H,1-3,5-6,9-13,15H2,(H,31,32,33,34)
InChIKeyGDIAJFDJIVSPEF-UHFFFAOYSA-N
MW546.52 g/mol
LogP5.19
Rot. Bonds7

About 2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (PubChem CID 58039922) has the molecular formula C24H28F6N6O2 and a molecular weight of 546.52 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
PubChem CID58039922
Molecular FormulaC24H28F6N6O2
Molecular Weight546.52 g/mol
Exact Mass546.22
IUPAC Name2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(OCC(F)(F)F)n2)CC1
InChIInChI=1S/C24H28F6N6O2/c25-23(26,27)15-38-22-33-20(31-18-8-4-7-17(14-18)24(28,29)30)32-21(34-22)36-11-9-35(10-12-36)19(37)13-16-5-2-1-3-6-16/h4,7-8,14,16H,1-3,5-6,9-13,15H2,(H,31,32,33,34)
InChIKeyGDIAJFDJIVSPEF-UHFFFAOYSA-N
XLogP5.19
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.52
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 645539
[2-({4-(4-Acetyl-1-piperazinyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-yl}amino)phenyl](phenyl)methanone
CID 2828109
N-methyl-3-[[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 53372080
N2-(3-fluorophenyl)-6-morpholino-N4-(3-(trifluoromethyl)phenyl)-1,3,5-triazine-2,4-diamine
CID 18580172
6-(morpholin-4-yl)-N,N'-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 1377566
[2-[[4-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-6-piperazin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]-phenylmethanone
CID 3615273
5-(2,2,2-Trifluoroethoxy)-2,4,6,8,17,24-hexazatricyclo[17.2.2.13,7]tetracosa-1(21),3,5,7(24),19,22-hexaen-18-one
CID 51039274
CID 51351896
CID 51351896
5-(2,2,2-Trifluoroethoxy)-2,4,6,8,11,14,21-heptazatricyclo[14.2.2.13,7]henicosa-1(18),3,5,7(21),16,19-hexaen-15-one
CID 51352400
5-(2,2,2-Trifluoroethoxy)-2,4,6,8,19,26-hexazatricyclo[19.2.2.13,7]hexacosa-1(23),3,5,7(26),21,24-hexaen-20-one
CID 51352401
11-Acetyl-5-(2,2,2-trifluoroethoxy)-2,4,6,8,11,14,21-heptazatricyclo[14.2.2.13,7]henicosa-1(18),3,5,7(21),16,19-hexaen-15-one
CID 51352440
14-[2-(Diethylamino)ethyl]-5-(2,2,2-trifluoroethoxy)-2,4,6,8,14,17,26-heptazatetracyclo[17.2.2.29,12.13,7]hexacosa-1(21),3(26),4,6,9(25),10,12(24),19,22-nonaene-13,18-dione
CID 51352488

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone (CID 58039922) is 2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is O=C(CC1CCCCC1)N1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(OCC(F)(F)F)n2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is GDIAJFDJIVSPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F6N6O2/c25-23(26,27)15-38-22-33-20(31-18-8-4-7-17(14-18)24(28,29)30)32-21(34-22)36-11-9-35(10-12-36)19(37)13-16-5-2-1-3-6-16/h4,7-8,14,16H,1-3,5-6,9-13,15H2,(H,31,32,33,34).
What are the key properties of 2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 546.52 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 58039922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).