2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;methane

C190H279Cl2F6N9O5 — CID 161278567

About 2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;methane

2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;methane (PubChem CID 161278567) has the molecular formula C190H279Cl2F6N9O5 and a molecular weight of 2954.27 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;methane.

Molecular Properties

• Compound Name: 2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;methane
• PubChem CID: 161278567
• Molecular Formula: C190H279Cl2F6N9O5
• Molecular Weight: 2954.27 g/mol
• Exact Mass: 2951.11
• IUPAC Name: 2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;methane
• SMILES: C.C.C.C.C.C=C1NC=CC(CO)=C1C(C)(C)C.CC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1c(Cl)cccc1Cl.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccccc1F.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CN(C)c1ccc(C(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1C.Cc1ccccc1C(C)(C)C.Cc1ccnc(CO)c1C(C)(C)C.Cc1ncnc(CO)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)c2ccccc21
• InChI: InChI=1S/C14H16.C13H17N.C12H19N.C12H16O.C12H18.C11H13F3.2C11H17NO.2C11H16.C10H12Cl2.C10H12F2.C10H13F.C10H16N2O.C9H15NO.2C9H13N.5CH4/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-9(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;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-8-10(11(2,3)4)9(7-13)5-6-12-8;1-8-5-6-12-9(7-13)10(8)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-6-4-5-7-9(8)11;1-7-9(10(2,3)4)8(5-13)12-6-11-7;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;;;;;/h4-10H,1-3H3;5-9H,1-4H3;6-9H,1-5H3;5-8H,1-4H3;6-8H,1-5H3;4-7H,1-3H3;5-6,12-13H,1,7H2,2-4H3;5-6,13H,7H2,1-4H3;2*5-8H,1-4H3;2*4-6H,1-3H3;4-7H,1-3H3;6,13H,5H2,1-4H3;1-5H3;2*4-7H,1-3H3;5*1H4
• InChIKey: VETOSQOWJWHEHE-UHFFFAOYSA-N
• XLogP: 54.95
• TPSA: 188.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2954.27
LogP ≤ 5	54.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;methane?

The IUPAC name of 2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;methane (CID 161278567) is 2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;methane.

What is the SMILES notation for 2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;methane?

The canonical SMILES for 2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;methane is C.C.C.C.C.C=C1NC=CC(CO)=C1C(C)(C)C.CC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1c(Cl)cccc1Cl.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccccc1F.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CN(C)c1ccc(C(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1C.Cc1ccccc1C(C)(C)C.Cc1ccnc(CO)c1C(C)(C)C.Cc1ncnc(CO)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)c2ccccc21.

What is the InChIKey of 2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;methane?

The InChIKey is VETOSQOWJWHEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C13H17N.C12H19N.C12H16O.C12H18.C11H13F3.2C11H17NO.2C11H16.C10H12Cl2.C10H12F2.C10H13F.C10H16N2O.C9H15NO.2C9H13N.5CH4/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-9(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;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-8-10(11(2,3)4)9(7-13)5-6-12-8;1-8-5-6-12-9(7-13)10(8)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-6-4-5-7-9(8)11;1-7-9(10(2,3)4)8(5-13)12-6-11-7;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;;;;;/h4-10H,1-3H3;5-9H,1-4H3;6-9H,1-5H3;5-8H,1-4H3;6-8H,1-5H3;4-7H,1-3H3;5-6,12-13H,1,7H2,2-4H3;5-6,13H,7H2,1-4H3;2*5-8H,1-4H3;2*4-6H,1-3H3;4-7H,1-3H3;6,13H,5H2,1-4H3;1-5H3;2*4-7H,1-3H3;5*1H4.

What are the key properties of 2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;methane?

2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;methane has a molecular weight of 2954.27 g/mol, XLogP of 54.95, 5 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;(3-tert-butyl-2-methylidene-1H-pyridin-4-yl)methanol;3-tert-butyl-1-methylindole;(3-tert-butyl-4-methyl-2-pyridinyl)methanol;(5-tert-butyl-6-methylpyrimidin-4-yl)methanol;2-tert-butylnaphthalene;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;methane is sourced from PubChem (CID 161278567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).