bis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene

C76H99Cl9F2 — CID 165052769

IUPACbis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene
SMILESCC(C)(C)c1c(Cl)cccc1Cl.Cc1cc(Cl)c(C(C)(C)C)c(Cl)c1.Cc1ccc(C(C)(C)C)c(Cl)c1.Cc1ccc(C(C)(C)C)c(F)c1Cl.Cc1ccc(C(C)(C)C)c(F)c1Cl.Cc1ccc(C(C)(C)C)cc1Cl.Cc1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C11H14Cl2.2C11H14ClF.3C11H15Cl.C10H12Cl2/c1-7-5-8(12)10(9(13)6-7)11(2,3)4;2*1-7-5-6-8(11(2,3)4)10(13)9(7)12;2*1-8-5-6-9(7-10(8)12)11(2,3)4;1-8-5-6-9(10(12)7-8)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12/h3*5-6H,1-4H3;3*5-7H,1-4H3;4-6H,1-3H3
InChIKeyPXUZVCHFLBTUID-UHFFFAOYSA-N
MW1369.70 g/mol
LogP28.90
Rot. Bonds

About bis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene

bis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene (PubChem CID 165052769) has the molecular formula C76H99Cl9F2 and a molecular weight of 1369.70 g/mol. Its IUPAC name is bis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene.

Molecular Properties

Compound Namebis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene
PubChem CID165052769
Molecular FormulaC76H99Cl9F2
Molecular Weight1369.70 g/mol
Exact Mass1364.49
IUPAC Namebis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene
SMILESCC(C)(C)c1c(Cl)cccc1Cl.Cc1cc(Cl)c(C(C)(C)C)c(Cl)c1.Cc1ccc(C(C)(C)C)c(Cl)c1.Cc1ccc(C(C)(C)C)c(F)c1Cl.Cc1ccc(C(C)(C)C)c(F)c1Cl.Cc1ccc(C(C)(C)C)cc1Cl.Cc1ccc(C(C)(C)C)cc1Cl
InChIInChI=1S/C11H14Cl2.2C11H14ClF.3C11H15Cl.C10H12Cl2/c1-7-5-8(12)10(9(13)6-7)11(2,3)4;2*1-7-5-6-8(11(2,3)4)10(13)9(7)12;2*1-8-5-6-9(7-10(8)12)11(2,3)4;1-8-5-6-9(10(12)7-8)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12/h3*5-6H,1-4H3;3*5-7H,1-4H3;4-6H,1-3H3
InChIKeyPXUZVCHFLBTUID-UHFFFAOYSA-N
XLogP28.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001369.70
LogP ≤ 528.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-2-chloro-4-methylbenzene;4-tert-butyl-2-chloro-1-methylbenzene;2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluoro-4-methylbenzene;bis(1-tert-butyl-3-methylbenzene);bis(1-tert-butyl-4-methylbenzene);(2-tert-butylphenyl)methanol
CID 157439000
2-tert-butyl-1,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;methane
CID 157262280
1-tert-butyl-3-chloro-2,4-difluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;2-tert-butyl-4-chloro-1-fluorobenzene;1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene;4-tert-butyl-2-chlorophenol
CID 167711390
1,4-ditert-butyl-2-chlorobenzene;methane
CID 161178339
bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene
CID 161350931
4-tert-butyl-2-chloro-1-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;bis(4-tert-butyl-2-fluoro-1-methylbenzene);1-tert-butyl-3-methoxy-5-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene
CID 158365886
2-chloro-1,4-dimethylbenzene;propane;1,1,1-trifluoroethane
CID 142937628
2-tert-butyl-1-chloro-3-methylbenzene;1-tert-butyl-2-methylbenzene;methane
CID 162057738
1,4-ditert-butyl-2-(2,5-dimethylphenyl)benzene
CID 173062231
2-chloro-4-(1-fluoro-1-isocyanatoethyl)-1-methylbenzene
CID 105467203
(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 64713968
1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol
CID 63407186

Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene?
The IUPAC name of bis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene (CID 165052769) is bis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene.
What is the SMILES notation for bis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene?
The canonical SMILES for bis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene is CC(C)(C)c1c(Cl)cccc1Cl.Cc1cc(Cl)c(C(C)(C)C)c(Cl)c1.Cc1ccc(C(C)(C)C)c(Cl)c1.Cc1ccc(C(C)(C)C)c(F)c1Cl.Cc1ccc(C(C)(C)C)c(F)c1Cl.Cc1ccc(C(C)(C)C)cc1Cl.Cc1ccc(C(C)(C)C)cc1Cl.
What is the InChIKey of bis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene?
The InChIKey is PXUZVCHFLBTUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2.2C11H14ClF.3C11H15Cl.C10H12Cl2/c1-7-5-8(12)10(9(13)6-7)11(2,3)4;2*1-7-5-6-8(11(2,3)4)10(13)9(7)12;2*1-8-5-6-9(7-10(8)12)11(2,3)4;1-8-5-6-9(10(12)7-8)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12/h3*5-6H,1-4H3;3*5-7H,1-4H3;4-6H,1-3H3.
What are the key properties of bis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene?
bis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene has a molecular weight of 1369.70 g/mol, XLogP of 28.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-3-chloro-2-fluoro-4-methylbenzene);1-tert-butyl-2-chloro-4-methylbenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-dichloro-5-methylbenzene is sourced from PubChem (CID 165052769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).