bis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene

C100H151Cl2F13N8S2 — CID 160959982

IUPACbis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESCC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H24N2.C11H23N.C10H11F3.C10H22N2.2C9H11Cl.C9H11F.C9H12.C8H9F3S.C7H9F3N2.C7H8F3NS/c1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-4-7(12-6)8(9,10)11;1-5(2)12-4-3-6(11-12)7(8,9)10;1-4(2)5-3-11-6(12-5)7(8,9)10/h9-11H,6-8H2,1-5H3;9-11H,5-8H2,1-4H3;3-7H,1-2H3;9-10H,5-8H2,1-4H3;3*3-7H,1-2H3;3-8H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3
InChIKeySWWSGENJNBNTME-UHFFFAOYSA-N
MW1847.38 g/mol
LogP32.17
Rot. Bonds14

About bis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene

bis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene (PubChem CID 160959982) has the molecular formula C100H151Cl2F13N8S2 and a molecular weight of 1847.38 g/mol. Its IUPAC name is bis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Namebis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
PubChem CID160959982
Molecular FormulaC100H151Cl2F13N8S2
Molecular Weight1847.38 g/mol
Exact Mass1845.07
IUPAC Namebis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESCC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H24N2.C11H23N.C10H11F3.C10H22N2.2C9H11Cl.C9H11F.C9H12.C8H9F3S.C7H9F3N2.C7H8F3NS/c1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-4-7(12-6)8(9,10)11;1-5(2)12-4-3-6(11-12)7(8,9)10;1-4(2)5-3-11-6(12-5)7(8,9)10/h9-11H,6-8H2,1-5H3;9-11H,5-8H2,1-4H3;3-7H,1-2H3;9-10H,5-8H2,1-4H3;3*3-7H,1-2H3;3-8H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3
InChIKeySWWSGENJNBNTME-UHFFFAOYSA-N
XLogP32.17
TPSA46.91 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001847.38
LogP ≤ 532.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze bis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene with MolForge

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Related Compounds

carbonyl difluoride;1-chloro-4-propan-2-ylbenzene;1,6-dimethyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;1,4-di(propan-2-yl)piperazine;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;6-methyl-2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol;1-methyl-3-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-thiazole;propane;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-3-(2,2,2-trifluoroethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
CID 161457711
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 118130022
(2S)-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
CID 125491888
3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine
CID 162572290
4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine
CID 164918393
(3S)-3-tert-butyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 58665831
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 86887618
1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162243126
2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162046659
2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
CID 161485090
2-methyl-1-(1-methylpyrazol-3-yl)-4-propan-2-ylpiperazine
CID 176692531

Frequently Asked Questions

What is the IUPAC name of bis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The IUPAC name of bis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene (CID 160959982) is bis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for bis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The canonical SMILES for bis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene is CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccccc1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)n1ccc(C(F)(F)F)n1.
What is the InChIKey of bis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The InChIKey is SWWSGENJNBNTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C11H23N.C10H11F3.C10H22N2.2C9H11Cl.C9H11F.C9H12.C8H9F3S.C7H9F3N2.C7H8F3NS/c1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-4-7(12-6)8(9,10)11;1-5(2)12-4-3-6(11-12)7(8,9)10;1-4(2)5-3-11-6(12-5)7(8,9)10/h9-11H,6-8H2,1-5H3;9-11H,5-8H2,1-4H3;3-7H,1-2H3;9-10H,5-8H2,1-4H3;3*3-7H,1-2H3;3-8H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3.
What are the key properties of bis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
bis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene has a molecular weight of 1847.38 g/mol, XLogP of 32.17, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-chloro-4-propan-2-ylbenzene);cumene;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 160959982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).