2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine

C271H365Cl3F14N2 — CID 161415743

IUPAC2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESCC(C)c1cc(F)ccc1F.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)cc1Cl.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CCc1ccc(C(C)C)cc1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1cnc(C(C)C)c(F)c1
InChIInChI=1S/C12H18.7C11H16.C10H13Cl.4C10H13F.6C10H14.C9H10ClF.C9H11Cl.C9H10F3N.2C9H10F2.C9H12FN.C9H11F.C9H12/c1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-8(2)11-6-5-9(3)10(4)7-11;3*1-8(2)11-6-5-9(3)7-10(11)4;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-5-4-8(3)10(11)6-9;2*1-7(2)9-5-4-8(3)6-10(9)11;4*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;1-6(2)8-4-3-7(11)5-9(8)10;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)9-8(10)4-7(3)5-11-9;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9/h5-10H,1-4H3;6*5-8H,1-4H3;5-9H,4H2,1-3H3;5*4-7H,1-3H3;6*4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;2*3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;3-8H,1-2H3
InChIKeyVWBGLSMKUSVKJA-UHFFFAOYSA-N
MW4023.25 g/mol
LogP88.26
Rot. Bonds29

About 2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine

2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine (PubChem CID 161415743) has the molecular formula C271H365Cl3F14N2 and a molecular weight of 4023.25 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine
PubChem CID161415743
Molecular FormulaC271H365Cl3F14N2
Molecular Weight4023.25 g/mol
Exact Mass4018.75
IUPAC Name2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESCC(C)c1cc(F)ccc1F.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)cc1Cl.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CCc1ccc(C(C)C)cc1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1cnc(C(C)C)c(F)c1
InChIInChI=1S/C12H18.7C11H16.C10H13Cl.4C10H13F.6C10H14.C9H10ClF.C9H11Cl.C9H10F3N.2C9H10F2.C9H12FN.C9H11F.C9H12/c1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-8(2)11-6-5-9(3)10(4)7-11;3*1-8(2)11-6-5-9(3)7-10(11)4;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-5-4-8(3)10(11)6-9;2*1-7(2)9-5-4-8(3)6-10(9)11;4*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;1-6(2)8-4-3-7(11)5-9(8)10;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)9-8(10)4-7(3)5-11-9;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9/h5-10H,1-4H3;6*5-8H,1-4H3;5-9H,4H2,1-3H3;5*4-7H,1-3H3;6*4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;2*3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;3-8H,1-2H3
InChIKeyVWBGLSMKUSVKJA-UHFFFAOYSA-N
XLogP88.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms290
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004023.25
LogP ≤ 588.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-[1-[3-chloro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]-2-methylprop-1-enyl]pyridine
CID 122451518
4,4'-(4''-(tert-Butyl)-4-chloro-6'-phenyl-5'-(4-(trifluoromethyl)phenyl)-[1,1':2',1''-terphenyl]-3',4'-diyl)dipyridine
CID 86341907
2-(4,4'-Di-tert-butyl-2'-(5-chloro-3-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908890
6,6'-(4'',6'-Di-tert-butyl-[1,1':3',1'':3'',1'''-quaterphenyl]-4',6''-diyl)bis(3-fluoropyridine)
CID 155908893
2-(4-(Tert-butyl)-2'-(pyridin-2-yl)-4'-(trifluoromethyl)-[1,1'-biphenyl]-2-yl)-5-fluoropyridine
CID 155908904
2-(4'-(Tert-butyl)-4-chloro-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908905
2-(4,4'-Di-tert-butyl-2'-(5-(trifluoromethyl)pyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908906
6,6'-(4,4'-Di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-(trifluoromethyl)pyridine)
CID 155908913
2-(4-(Tert-butyl)-2-(5-fluoropyridin-2-yl)-[1,1':4',1''-terphenyl]-2'-yl)-3-methylpyridine
CID 155908918
2,2'-(4,4'-Di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(5-chloro-3-fluoropyridine)
CID 155908919
2-(4,4'-Di-tert-butyl-6'-(5-fluoropyridin-2-yl)-[1,1':3',1''-terphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908927
2,2'-(5,5'-Difluoro-4,4'-dimethyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-methylpyridine)
CID 155908941

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine (CID 161415743) is 2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine is CC(C)c1cc(F)ccc1F.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1ccc(F)cc1Cl.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CCc1ccc(C(C)C)cc1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1cnc(C(C)C)c(F)c1.
What is the InChIKey of 2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine?
The InChIKey is VWBGLSMKUSVKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.7C11H16.C10H13Cl.4C10H13F.6C10H14.C9H10ClF.C9H11Cl.C9H10F3N.2C9H10F2.C9H12FN.C9H11F.C9H12/c1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-8(2)11-6-5-9(3)10(4)7-11;3*1-8(2)11-6-5-9(3)7-10(11)4;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-5-4-8(3)10(11)6-9;2*1-7(2)9-5-4-8(3)6-10(9)11;4*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;1-6(2)8-4-3-7(11)5-9(8)10;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)9-8(10)4-7(3)5-11-9;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9/h5-10H,1-4H3;6*5-8H,1-4H3;5-9H,4H2,1-3H3;5*4-7H,1-3H3;6*4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;2*3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;3-8H,1-2H3.
What are the key properties of 2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine?
2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine has a molecular weight of 4023.25 g/mol, XLogP of 88.26, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;tris(1,2-dimethyl-4-propan-2-ylbenzene);tris(2,4-dimethyl-1-propan-2-ylbenzene);1,4-di(propan-2-yl)benzene;1-ethyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(2-fluoro-4-methyl-1-propan-2-ylbenzene);3-fluoro-5-methyl-2-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-propan-2-yl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 161415743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).