1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine

C117H148BrF18N3O — CID 167609136

IUPAC1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC(C)N1CCCc2cc(C(F)(F)F)ccc21.CC(C)c1cc(C(F)(F)F)ccc1Br.CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1C(F)(F)F.COc1ccc(C(F)(F)F)cc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc2c(c1)N(C(C)C)CCC2.Cc1cccc(C(C)C)c1.Cc1cccc(C)c1C(C)C
InChIInChI=1S/C13H16F3N.C13H19N.C11H13F3O.C11H16.C10H10BrF3.2C10H11F3.3C10H14.C9H10F3N/c1-9(2)17-7-3-4-10-8-11(13(14,15)16)5-6-12(10)17;1-10(2)14-8-4-5-12-7-6-11(3)9-13(12)14;1-7(2)9-6-8(11(12,13)14)4-5-10(9)15-3;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)8-5-7(10(12,13)14)3-4-9(8)11;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11,12)13;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-5-7(3-4-13-8)9(10,11)12/h5-6,8-9H,3-4,7H2,1-2H3;6-7,9-10H,4-5,8H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;3-6H,1-2H3;2*3-7H,1-2H3;3*4-8H,1-3H3;3-6H,1-2H3
InChIKeyKUFKLDSAPPKPDG-UHFFFAOYSA-N
MW2034.36 g/mol
LogP39.11
Rot. Bonds12

About 1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine

1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 167609136) has the molecular formula C117H148BrF18N3O and a molecular weight of 2034.36 g/mol. Its IUPAC name is 1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID167609136
Molecular FormulaC117H148BrF18N3O
Molecular Weight2034.36 g/mol
Exact Mass2032.05
IUPAC Name1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC(C)N1CCCc2cc(C(F)(F)F)ccc21.CC(C)c1cc(C(F)(F)F)ccc1Br.CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1C(F)(F)F.COc1ccc(C(F)(F)F)cc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc2c(c1)N(C(C)C)CCC2.Cc1cccc(C(C)C)c1.Cc1cccc(C)c1C(C)C
InChIInChI=1S/C13H16F3N.C13H19N.C11H13F3O.C11H16.C10H10BrF3.2C10H11F3.3C10H14.C9H10F3N/c1-9(2)17-7-3-4-10-8-11(13(14,15)16)5-6-12(10)17;1-10(2)14-8-4-5-12-7-6-11(3)9-13(12)14;1-7(2)9-6-8(11(12,13)14)4-5-10(9)15-3;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)8-5-7(10(12,13)14)3-4-9(8)11;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11,12)13;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-5-7(3-4-13-8)9(10,11)12/h5-6,8-9H,3-4,7H2,1-2H3;6-7,9-10H,4-5,8H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;3-6H,1-2H3;2*3-7H,1-2H3;3*4-8H,1-3H3;3-6H,1-2H3
InChIKeyKUFKLDSAPPKPDG-UHFFFAOYSA-N
XLogP39.11
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002034.36
LogP ≤ 539.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine with MolForge

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Related Compounds

1-[2,4-Bis(trifluoromethyl)phenyl]isoquinoline;1-(4-bromophenyl)isoquinoline;1-(4-butylphenyl)isoquinoline;1-(4-tert-butylphenyl)isoquinoline;1-(2,4-difluorophenyl)isoquinoline;1-(2,4-dimethylphenyl)isoquinoline;1-(4-ethylphenyl)isoquinoline;1-(4-fluorophenyl)isoquinoline;1-(4-methoxyphenyl)isoquinoline;1-(4-methylphenyl)isoquinoline;1-phenylisoquinoline;1-[4-(trifluoromethyl)phenyl]isoquinoline
CID 159496151
1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 159839814
7-(4-Bromophenyl)benzo[k]phenanthridine;7-(2-methoxyphenyl)benzo[k]phenanthridine;7-(2-nitrophenyl)benzo[k]phenanthridine;7-(3-nitrophenyl)benzo[k]phenanthridine;7-(4-nitrophenyl)benzo[k]phenanthridine;7-[4-(trifluoromethyl)phenyl]benzo[k]phenanthridine
CID 161734460
(4aS)-10-[(4-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline;10-bromo-5,6-dihydrobenzo[f]quinoline;10-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[f]quinoline
CID 157625449
6-(2,2-diphenylethenyl)-N-[3-[(1E)-3-methyl-4,4-diphenylbuta-1,3-dienyl]-5-[3-(N-phenylanilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)naphthalen-1-amine;4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-N-[4-(6-methyl-2-pyridinyl)phenyl]-N-[4-[(1E)-1,4,4-triphenylbuta-1,3-dienyl]phenyl]naphthalen-1-amine
CID 159324876
Bis(1-bromo-2,4-dimethylbenzene);1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,4-trimethylbenzene
CID 160295799
3,6-di(propan-2-yl)-2H-chromene;3,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 160676872
6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline
CID 167549353
8-[4-(4-Bromophenyl)-6-[4-(4-methoxyphenyl)quinolin-8-yl]-2-pyridinyl]-4-(4-methoxyphenyl)quinoline
CID 177597858

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine (CID 167609136) is 1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine is CC(C)N1CCCc2cc(C(F)(F)F)ccc21.CC(C)c1cc(C(F)(F)F)ccc1Br.CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1C(F)(F)F.COc1ccc(C(F)(F)F)cc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc2c(c1)N(C(C)C)CCC2.Cc1cccc(C(C)C)c1.Cc1cccc(C)c1C(C)C.
What is the InChIKey of 1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is KUFKLDSAPPKPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N.C13H19N.C11H13F3O.C11H16.C10H10BrF3.2C10H11F3.3C10H14.C9H10F3N/c1-9(2)17-7-3-4-10-8-11(13(14,15)16)5-6-12(10)17;1-10(2)14-8-4-5-12-7-6-11(3)9-13(12)14;1-7(2)9-6-8(11(12,13)14)4-5-10(9)15-3;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)8-5-7(10(12,13)14)3-4-9(8)11;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11,12)13;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-5-7(3-4-13-8)9(10,11)12/h5-6,8-9H,3-4,7H2,1-2H3;6-7,9-10H,4-5,8H2,1-3H3;4-7H,1-3H3;5-8H,1-4H3;3-6H,1-2H3;2*3-7H,1-2H3;3*4-8H,1-3H3;3-6H,1-2H3.
What are the key properties of 1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine?
1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 2034.36 g/mol, XLogP of 39.11, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-dimethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);7-methyl-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 167609136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).