1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine

C173H242ClF7N2O2 — CID 159541772

IUPAC1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine
SMILESCC(C)(C)c1ccc(C(C)(F)F)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccncc1.CCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C12H16F2.C12H16O.2C12H18.C11H15F.C11H16O.4C11H16.C10H13Cl.C10H12F2.2C10H13F.C10H15N.C9H13N/c1-11(2,3)9-5-7-10(8-6-9)12(4,13)14;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-9-6-7-11(8-10(9)2)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)8-4-6-10-7-5-8/h5-8H,1-4H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;6-9H,5H2,1-4H3;5-7H,1-4H3;5-8H,1-4H3;4*5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3
InChIKeyMEHMQTJRCLJBBY-UHFFFAOYSA-N
MW2550.29 g/mol
LogP51.97
Rot. Bonds3

About 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine

1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine (PubChem CID 159541772) has the molecular formula C173H242ClF7N2O2 and a molecular weight of 2550.29 g/mol. Its IUPAC name is 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine.

Molecular Properties

Compound Name1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine
PubChem CID159541772
Molecular FormulaC173H242ClF7N2O2
Molecular Weight2550.29 g/mol
Exact Mass2547.85
IUPAC Name1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine
SMILESCC(C)(C)c1ccc(C(C)(F)F)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccncc1.CCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C12H16F2.C12H16O.2C12H18.C11H15F.C11H16O.4C11H16.C10H13Cl.C10H12F2.2C10H13F.C10H15N.C9H13N/c1-11(2,3)9-5-7-10(8-6-9)12(4,13)14;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-9-6-7-11(8-10(9)2)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)8-4-6-10-7-5-8/h5-8H,1-4H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;6-9H,5H2,1-4H3;5-7H,1-4H3;5-8H,1-4H3;4*5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3
InChIKeyMEHMQTJRCLJBBY-UHFFFAOYSA-N
XLogP51.97
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms185
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002550.29
LogP ≤ 551.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine?
The IUPAC name of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine (CID 159541772) is 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine.
What is the SMILES notation for 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine?
The canonical SMILES for 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine is CC(C)(C)c1ccc(C(C)(F)F)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccncc1.CCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine?
The InChIKey is MEHMQTJRCLJBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2.C12H16O.2C12H18.C11H15F.C11H16O.4C11H16.C10H13Cl.C10H12F2.2C10H13F.C10H15N.C9H13N/c1-11(2,3)9-5-7-10(8-6-9)12(4,13)14;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-9-6-7-11(8-10(9)2)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)8-4-6-10-7-5-8/h5-8H,1-4H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;6-9H,5H2,1-4H3;5-7H,1-4H3;5-8H,1-4H3;4*5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3.
What are the key properties of 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine?
1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine has a molecular weight of 2550.29 g/mol, XLogP of 51.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-(1,1-difluoroethyl)benzene;6-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-1,2-dimethylbenzene;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butyl-4-methoxybenzene;bis(1-tert-butyl-2-methylbenzene);1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;4-tert-butylpyridine is sourced from PubChem (CID 159541772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).