1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;2-propan-2-ylthiophene;2-propan-2-ylthiophene-3-carbonitrile

C148H213F2N9O4S4 — CID 160883780

About 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;2-propan-2-ylthiophene;2-propan-2-ylthiophene-3-carbonitrile

1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;2-propan-2-ylthiophene;2-propan-2-ylthiophene-3-carbonitrile (PubChem CID 160883780) has the molecular formula C148H213F2N9O4S4 and a molecular weight of 2348.65 g/mol. Its IUPAC name is 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;2-propan-2-ylthiophene;2-propan-2-ylthiophene-3-carbonitrile.

Molecular Properties

• Compound Name: 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;2-propan-2-ylthiophene;2-propan-2-ylthiophene-3-carbonitrile
• PubChem CID: 160883780
• Molecular Formula: C148H213F2N9O4S4
• Molecular Weight: 2348.65 g/mol
• Exact Mass: 2346.56
• IUPAC Name: 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;2-propan-2-ylthiophene;2-propan-2-ylthiophene-3-carbonitrile
• SMILES: C.C.CC(C)C1=CCC=C1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1cccn(C)c1=O.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1cn(C)c(=O)n(C)c1=O.CC(C)c1sccc1C#N.Cc1c(F)cc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)s1.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1
• InChI: InChI=1S/C11H14N2.C11H17N.C10H12F2.4C10H14.C9H14N2O2.2C9H13NO.C8H9NS.C8H11N.2C8H12S.C8H12.C7H10S.2CH4/c1-8(2)9-4-5-10-7-13(3)12-11(10)6-9;1-9(2)10-5-7-11(8-6-10)12(3)4;1-6(2)8-4-9(11)7(3)10(12)5-8;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-5-10(3)9(13)11(4)8(7)12;1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)8-5-4-6-10(3)9(8)11;1-6(2)8-7(5-9)3-4-10-8;1-7(2)8-4-3-5-9-6-8;2*1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;;/h4-8H,1-3H3;5-9H,1-4H3;4-6H,1-3H3;4*4-8H,1-3H3;5-6H,1-4H3;2*4-7H,1-3H3;3-4,6H,1-2H3;3-7H,1-2H3;2*4-6H,1-3H3;3,5-7H,4H2,1-2H3;3-6H,1-2H3;2*1H4
• InChIKey: SNJFZXXTJCHFBL-UHFFFAOYSA-N
• XLogP: 42.65
• TPSA: 145.74 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2348.65
LogP ≤ 5	42.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;2-propan-2-ylthiophene;2-propan-2-ylthiophene-3-carbonitrile?

The IUPAC name of 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;2-propan-2-ylthiophene;2-propan-2-ylthiophene-3-carbonitrile (CID 160883780) is 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;2-propan-2-ylthiophene;2-propan-2-ylthiophene-3-carbonitrile.

What is the SMILES notation for 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;2-propan-2-ylthiophene;2-propan-2-ylthiophene-3-carbonitrile?

The canonical SMILES for 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;2-propan-2-ylthiophene;2-propan-2-ylthiophene-3-carbonitrile is C.C.CC(C)C1=CCC=C1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1cccn(C)c1=O.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1cn(C)c(=O)n(C)c1=O.CC(C)c1sccc1C#N.Cc1c(F)cc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)s1.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1.

What is the InChIKey of 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;2-propan-2-ylthiophene;2-propan-2-ylthiophene-3-carbonitrile?

The InChIKey is SNJFZXXTJCHFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C11H17N.C10H12F2.4C10H14.C9H14N2O2.2C9H13NO.C8H9NS.C8H11N.2C8H12S.C8H12.C7H10S.2CH4/c1-8(2)9-4-5-10-7-13(3)12-11(10)6-9;1-9(2)10-5-7-11(8-6-10)12(3)4;1-6(2)8-4-9(11)7(3)10(12)5-8;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-5-10(3)9(13)11(4)8(7)12;1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)8-5-4-6-10(3)9(8)11;1-6(2)8-7(5-9)3-4-10-8;1-7(2)8-4-3-5-9-6-8;2*1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;;/h4-8H,1-3H3;5-9H,1-4H3;4-6H,1-3H3;4*4-8H,1-3H3;5-6H,1-4H3;2*4-7H,1-3H3;3-4,6H,1-2H3;3-7H,1-2H3;2*4-6H,1-3H3;3,5-7H,4H2,1-2H3;3-6H,1-2H3;2*1H4.

What are the key properties of 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;2-propan-2-ylthiophene;2-propan-2-ylthiophene-3-carbonitrile?

1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;2-propan-2-ylthiophene;2-propan-2-ylthiophene-3-carbonitrile has a molecular weight of 2348.65 g/mol, XLogP of 42.65, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;2-propan-2-ylthiophene;2-propan-2-ylthiophene-3-carbonitrile is sourced from PubChem (CID 160883780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).