1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene

C165H228Cl3F7O — CID 158941014

IUPAC1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene
SMILESCC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1Cl.CC(C)(C)c1cccc(C(F)(F)F)c1.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(Cl)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C12H16O.C12H18.2C11H15Cl.C11H13F3.C11H15F.7C11H16.C10H12ClF.C10H12F2/c1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9-7-6-8-11(10(9)2)12(3,4)5;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-6-5-7-9(12)10(8)11(2,3)4;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-8-7-9(11(2,3)4)5-6-10(8)12;3*1-9-6-5-7-10(8-9)11(2,3)4;4*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-5-4-7(12)6-9(8)11;1-10(2,3)7-4-5-8(11)9(12)6-7/h5-8H,1-4H3;6-8H,1-5H3;2*5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;7*5-8H,1-4H3;2*4-6H,1-3H3
InChIKeyJKGBGLKZQRUAGF-UHFFFAOYSA-N
MW2466.98 g/mol
LogP52.20
Rot. Bonds1

About 1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene

1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene (PubChem CID 158941014) has the molecular formula C165H228Cl3F7O and a molecular weight of 2466.98 g/mol. Its IUPAC name is 1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene
PubChem CID158941014
Molecular FormulaC165H228Cl3F7O
Molecular Weight2466.98 g/mol
Exact Mass2463.67
IUPAC Name1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene
SMILESCC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1Cl.CC(C)(C)c1cccc(C(F)(F)F)c1.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(Cl)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C12H16O.C12H18.2C11H15Cl.C11H13F3.C11H15F.7C11H16.C10H12ClF.C10H12F2/c1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9-7-6-8-11(10(9)2)12(3,4)5;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-6-5-7-9(12)10(8)11(2,3)4;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-8-7-9(11(2,3)4)5-6-10(8)12;3*1-9-6-5-7-10(8-9)11(2,3)4;4*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-5-4-7(12)6-9(8)11;1-10(2,3)7-4-5-8(11)9(12)6-7/h5-8H,1-4H3;6-8H,1-5H3;2*5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;7*5-8H,1-4H3;2*4-6H,1-3H3
InChIKeyJKGBGLKZQRUAGF-UHFFFAOYSA-N
XLogP52.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002466.98
LogP ≤ 552.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene (CID 158941014) is 1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene is CC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1Cl.CC(C)(C)c1cccc(C(F)(F)F)c1.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1C.Cc1cccc(Cl)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene?
The InChIKey is JKGBGLKZQRUAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C12H18.2C11H15Cl.C11H13F3.C11H15F.7C11H16.C10H12ClF.C10H12F2/c1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-9-7-6-8-11(10(9)2)12(3,4)5;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-6-5-7-9(12)10(8)11(2,3)4;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-8-7-9(11(2,3)4)5-6-10(8)12;3*1-9-6-5-7-10(8-9)11(2,3)4;4*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-5-4-7(12)6-9(8)11;1-10(2,3)7-4-5-8(11)9(12)6-7/h5-8H,1-4H3;6-8H,1-5H3;2*5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;7*5-8H,1-4H3;2*4-6H,1-3H3.
What are the key properties of 1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene?
1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene has a molecular weight of 2466.98 g/mol, XLogP of 52.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;tetrakis(1-tert-butyl-2-methylbenzene);tris(1-tert-butyl-3-methylbenzene);1-(3-tert-butylphenyl)ethanone;1-tert-butyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 158941014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).