4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene

C241H319Cl5F27NO5 — CID 162064334

IUPAC4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESC.C.C.C.C.C.C.C.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1Cl.CC(C)c1ccc(C(F)(F)F)cc1F.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(F)cc1C(F)(F)F.CC(C)c1ccc(F)cc1C(N)=O.CC(C)c1ccc(F)cc1F.CC(C)c1ccc(O)cc1.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CCOc1ccc(C(C)C)cc1.COc1ccc(C(C)C)c(F)c1.COc1ccc(C(C)C)cc1.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C13H18.C13H14.C11H13F3.C11H16O.2C10H10ClF3.2C10H10F4.C10H11F3.C10H12FNO.C10H13FO.2C10H13F.C10H14O.4C10H14.C9H10Cl2.C9H10ClF.C9H10F2.C9H12O.C9H12.8CH4/c2*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;1-4-12-11-7-5-10(6-8-11)9(2)3;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-7(2)9-5-4-8(12-3)6-10(9)11;2*1-7(2)10-5-4-9(11)6-8(10)3;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;3*1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;;;;;;;;/h5,7,9-10H,3-4,6,8H2,1-2H3;3-10H,1-2H3;4-7H,1-3H3;5-9H,4H2,1-3H3;4*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3,(H2,12,13);4-7H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;4*4-8H,1-3H3;3*3-6H,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;8*1H4
InChIKeyZAGIBPBDEMVIAT-UHFFFAOYSA-N
MW4000.42 g/mol
LogP83.76
Rot. Bonds28

About 4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene

4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 162064334) has the molecular formula C241H319Cl5F27NO5 and a molecular weight of 4000.42 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID162064334
Molecular FormulaC241H319Cl5F27NO5
Molecular Weight4000.42 g/mol
Exact Mass3995.27
IUPAC Name4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESC.C.C.C.C.C.C.C.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1Cl.CC(C)c1ccc(C(F)(F)F)cc1F.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(F)cc1C(F)(F)F.CC(C)c1ccc(F)cc1C(N)=O.CC(C)c1ccc(F)cc1F.CC(C)c1ccc(O)cc1.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CCOc1ccc(C(C)C)cc1.COc1ccc(C(C)C)c(F)c1.COc1ccc(C(C)C)cc1.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C13H18.C13H14.C11H13F3.C11H16O.2C10H10ClF3.2C10H10F4.C10H11F3.C10H12FNO.C10H13FO.2C10H13F.C10H14O.4C10H14.C9H10Cl2.C9H10ClF.C9H10F2.C9H12O.C9H12.8CH4/c2*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;1-4-12-11-7-5-10(6-8-11)9(2)3;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-7(2)9-5-4-8(12-3)6-10(9)11;2*1-7(2)10-5-4-9(11)6-8(10)3;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;3*1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;;;;;;;;/h5,7,9-10H,3-4,6,8H2,1-2H3;3-10H,1-2H3;4-7H,1-3H3;5-9H,4H2,1-3H3;4*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3,(H2,12,13);4-7H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;4*4-8H,1-3H3;3*3-6H,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;8*1H4
InChIKeyZAGIBPBDEMVIAT-UHFFFAOYSA-N
XLogP83.76
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds28
Heavy Atoms279
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004000.42
LogP ≤ 583.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Related Compounds

5-[6-[(2Z)-2-[amino-(2,6-dichlorophenyl)methylidene]-4-methyl-3-oxopentoxy]naphthalen-2-yl]-2-fluorobenzoic acid
CID 145546962
1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 158004108
Tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride
CID 158244143
3-tert-butyl-5-propan-2-ylbenzoic acid;1-chloro-4,5-difluoro-2-propan-2-ylbenzene;4,5-dichloro-N-methyl-2-propan-2-ylbenzamide;4,5-dichloro-2-propan-2-ylbenzoic acid;3,6-difluoro-2-propan-2-ylbenzoic acid;2-ethoxy-1-propan-2-ylnaphthalene;methyl 4,5-dichloro-2-propan-2-ylbenzoate;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;2,3,4,5-tetrafluoro-6-propan-2-ylbenzoic acid;2,3,4,6-tetrafluoro-5-propan-2-ylbenzoic acid;2,3,5,6-tetrafluoro-4-propan-2-ylbenzoic acid;1,2,4-trifluoro-5-propan-2-ylbenzene
CID 158401086
2-(5-Chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
CID 159008059
1-butoxy-2-fluorobenzene;1-butoxy-3-fluorobenzene;1-chloro-2-fluorobenzene;1-chloro-3-fluorobenzene;1-chloro-2-fluoro-4-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-4-propan-2-yloxybenzene;1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene;N,N-dimethylbenzamide;1-ethoxy-2-fluorobenzene;1-ethyl-4-fluorobenzene;2-fluoro-N,N-dimethylbenzamide;4-fluoro-N-methylbenzamide;1-fluoro-3-(2-methylpropoxy)benzene;4-fluorophenol;1-fluoro-2-propoxybenzene;1-fluoro-3-propoxybenzene;1-fluoro-4-propylbenzene;1-fluoro-3-(trifluoromethoxy)benzene
CID 159023444
Tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1-ethoxy-4-propan-2-ylbenzene;tris(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;bis(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(1-propan-2-yl-4-(trifluoromethyl)benzene)
CID 159103262
2-Chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol
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Tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1-ethoxy-4-propan-2-ylbenzene;tris(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;bis(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene
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2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene
CID 159725534
4-(4-Tert-butylphenyl)-2,6-di(propan-2-yl)phenol;4-(3-chloro-2-fluorophenyl)-2,6-di(propan-2-yl)phenol;4-(3-chloro-4-fluorophenyl)-2,6-di(propan-2-yl)phenol;4-(4-chlorophenyl)-2,6-di(propan-2-yl)phenol;4-(2,3-dichlorophenyl)-2,6-di(propan-2-yl)phenol;4-(2,3-difluorophenyl)-2,6-di(propan-2-yl)phenol;2,6-di(propan-2-yl)-4-[4-(trifluoromethoxy)phenyl]phenol;4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol;4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzamide;4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenol
CID 159905039
Tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(1-propan-2-yl-4-(trifluoromethyl)benzene)
CID 160691493

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 162064334) is 4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene is C.C.C.C.C.C.C.C.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(F)(F)F)cc1Cl.CC(C)c1ccc(C(F)(F)F)cc1F.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccc(Cl)cc1Cl.CC(C)c1ccc(Cl)cc1F.CC(C)c1ccc(F)cc1C(F)(F)F.CC(C)c1ccc(F)cc1C(N)=O.CC(C)c1ccc(F)cc1F.CC(C)c1ccc(O)cc1.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CCOc1ccc(C(C)C)cc1.COc1ccc(C(C)C)c(F)c1.COc1ccc(C(C)C)cc1.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.
What is the InChIKey of 4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is ZAGIBPBDEMVIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C13H14.C11H13F3.C11H16O.2C10H10ClF3.2C10H10F4.C10H11F3.C10H12FNO.C10H13FO.2C10H13F.C10H14O.4C10H14.C9H10Cl2.C9H10ClF.C9H10F2.C9H12O.C9H12.8CH4/c2*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;1-4-12-11-7-5-10(6-8-11)9(2)3;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(5-9(8)11)10(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-7(2)9-5-4-8(12-3)6-10(9)11;2*1-7(2)10-5-4-9(11)6-8(10)3;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;3*1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;;;;;;;;/h5,7,9-10H,3-4,6,8H2,1-2H3;3-10H,1-2H3;4-7H,1-3H3;5-9H,4H2,1-3H3;4*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3,(H2,12,13);4-7H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;4*4-8H,1-3H3;3*3-6H,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;8*1H4.
What are the key properties of 4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene?
4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 4000.42 g/mol, XLogP of 83.76, 28 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 162064334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).