2-chloro-4-fluoro-1-methylbenzene;2-chloro-3-methylthiophene;1,3-dichloro-5-methylbenzene;3,5-difluoro-2-methylpyridine;2,4-dimethyl-1,3-thiazole;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-4-methyl-1-(trifluoromethoxy)benzene;methylcyclohexane;methylcyclopropane;4-methyloxane;2-methyl-5-(trifluoromethyl)furan;1,1,1-trifluoroethane;1,2,4-trifluoro-5-methylbenzene

C100H115Cl4F20N3O4S2 — CID 159419687

About 2-chloro-4-fluoro-1-methylbenzene;2-chloro-3-methylthiophene;1,3-dichloro-5-methylbenzene;3,5-difluoro-2-methylpyridine;2,4-dimethyl-1,3-thiazole;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-4-methyl-1-(trifluoromethoxy)benzene;methylcyclohexane;methylcyclopropane;4-methyloxane;2-methyl-5-(trifluoromethyl)furan;1,1,1-trifluoroethane;1,2,4-trifluoro-5-methylbenzene

2-chloro-4-fluoro-1-methylbenzene;2-chloro-3-methylthiophene;1,3-dichloro-5-methylbenzene;3,5-difluoro-2-methylpyridine;2,4-dimethyl-1,3-thiazole;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-4-methyl-1-(trifluoromethoxy)benzene;methylcyclohexane;methylcyclopropane;4-methyloxane;2-methyl-5-(trifluoromethyl)furan;1,1,1-trifluoroethane;1,2,4-trifluoro-5-methylbenzene (PubChem CID 159419687) has the molecular formula C100H115Cl4F20N3O4S2 and a molecular weight of 2008.94 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1-methylbenzene;2-chloro-3-methylthiophene;1,3-dichloro-5-methylbenzene;3,5-difluoro-2-methylpyridine;2,4-dimethyl-1,3-thiazole;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-4-methyl-1-(trifluoromethoxy)benzene;methylcyclohexane;methylcyclopropane;4-methyloxane;2-methyl-5-(trifluoromethyl)furan;1,1,1-trifluoroethane;1,2,4-trifluoro-5-methylbenzene.

Molecular Properties

• Compound Name: 2-chloro-4-fluoro-1-methylbenzene;2-chloro-3-methylthiophene;1,3-dichloro-5-methylbenzene;3,5-difluoro-2-methylpyridine;2,4-dimethyl-1,3-thiazole;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-4-methyl-1-(trifluoromethoxy)benzene;methylcyclohexane;methylcyclopropane;4-methyloxane;2-methyl-5-(trifluoromethyl)furan;1,1,1-trifluoroethane;1,2,4-trifluoro-5-methylbenzene
• PubChem CID: 159419687
• Molecular Formula: C100H115Cl4F20N3O4S2
• Molecular Weight: 2008.94 g/mol
• Exact Mass: 2005.68
• IUPAC Name: 2-chloro-4-fluoro-1-methylbenzene;2-chloro-3-methylthiophene;1,3-dichloro-5-methylbenzene;3,5-difluoro-2-methylpyridine;2,4-dimethyl-1,3-thiazole;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-4-methyl-1-(trifluoromethoxy)benzene;methylcyclohexane;methylcyclopropane;4-methyloxane;2-methyl-5-(trifluoromethyl)furan;1,1,1-trifluoroethane;1,2,4-trifluoro-5-methylbenzene
• SMILES: CC(F)(F)F.CC1CC1.CC1CCCCC1.CC1CCOCC1.COc1cc(F)ccc1C.Cc1cc(Cl)cc(Cl)c1.Cc1cc(F)c(F)cc1F.Cc1ccc(C(F)(F)F)o1.Cc1ccc(F)c(C)c1.Cc1ccc(F)cc1C.Cc1ccc(F)cc1Cl.Cc1ccc(F)cn1.Cc1ccc(OC(F)(F)F)c(F)c1.Cc1ccsc1Cl.Cc1csc(C)n1.Cc1ncc(F)cc1F
• InChI: InChI=1S/C8H6F4O.C8H9FO.2C8H9F.C7H6Cl2.C7H6ClF.C7H5F3.C7H14.C6H5F3O.C6H5F2N.C6H6FN.C6H12O.C5H5ClS.C5H7NS.C4H8.C2H3F3/c1-5-2-3-7(6(9)4-5)13-8(10,11)12;1-6-3-4-7(9)5-8(6)10-2;1-6-3-4-8(9)5-7(6)2;1-6-3-4-8(9)7(2)5-6;1-5-2-6(8)4-7(9)3-5;1-5-2-3-6(9)4-7(5)8;1-4-2-6(9)7(10)3-5(4)8;1-7-5-3-2-4-6-7;1-4-2-3-5(10-4)6(7,8)9;1-4-6(8)2-5(7)3-9-4;1-5-2-3-6(7)4-8-5;1-6-2-4-7-5-3-6;1-4-2-3-7-5(4)6;1-4-3-7-5(2)6-4;1-4-2-3-4;1-2(3,4)5/h2-4H,1H3;3-5H,1-2H3;2*3-5H,1-2H3;2*2-4H,1H3;2-3H,1H3;7H,2-6H2,1H3;2-3H,1H3;2-3H,1H3;2-4H,1H3;6H,2-5H2,1H3;2-3H,1H3;3H,1-2H3;4H,2-3H2,1H3;1H3
• InChIKey: LPPKYUMMFOXYIF-UHFFFAOYSA-N
• XLogP: 35.84
• TPSA: 79.50 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2008.94
LogP ≤ 5	35.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1-methylbenzene;2-chloro-3-methylthiophene;1,3-dichloro-5-methylbenzene;3,5-difluoro-2-methylpyridine;2,4-dimethyl-1,3-thiazole;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-4-methyl-1-(trifluoromethoxy)benzene;methylcyclohexane;methylcyclopropane;4-methyloxane;2-methyl-5-(trifluoromethyl)furan;1,1,1-trifluoroethane;1,2,4-trifluoro-5-methylbenzene?

The IUPAC name of 2-chloro-4-fluoro-1-methylbenzene;2-chloro-3-methylthiophene;1,3-dichloro-5-methylbenzene;3,5-difluoro-2-methylpyridine;2,4-dimethyl-1,3-thiazole;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-4-methyl-1-(trifluoromethoxy)benzene;methylcyclohexane;methylcyclopropane;4-methyloxane;2-methyl-5-(trifluoromethyl)furan;1,1,1-trifluoroethane;1,2,4-trifluoro-5-methylbenzene (CID 159419687) is 2-chloro-4-fluoro-1-methylbenzene;2-chloro-3-methylthiophene;1,3-dichloro-5-methylbenzene;3,5-difluoro-2-methylpyridine;2,4-dimethyl-1,3-thiazole;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-4-methyl-1-(trifluoromethoxy)benzene;methylcyclohexane;methylcyclopropane;4-methyloxane;2-methyl-5-(trifluoromethyl)furan;1,1,1-trifluoroethane;1,2,4-trifluoro-5-methylbenzene.

What is the SMILES notation for 2-chloro-4-fluoro-1-methylbenzene;2-chloro-3-methylthiophene;1,3-dichloro-5-methylbenzene;3,5-difluoro-2-methylpyridine;2,4-dimethyl-1,3-thiazole;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-4-methyl-1-(trifluoromethoxy)benzene;methylcyclohexane;methylcyclopropane;4-methyloxane;2-methyl-5-(trifluoromethyl)furan;1,1,1-trifluoroethane;1,2,4-trifluoro-5-methylbenzene?

The canonical SMILES for 2-chloro-4-fluoro-1-methylbenzene;2-chloro-3-methylthiophene;1,3-dichloro-5-methylbenzene;3,5-difluoro-2-methylpyridine;2,4-dimethyl-1,3-thiazole;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-4-methyl-1-(trifluoromethoxy)benzene;methylcyclohexane;methylcyclopropane;4-methyloxane;2-methyl-5-(trifluoromethyl)furan;1,1,1-trifluoroethane;1,2,4-trifluoro-5-methylbenzene is CC(F)(F)F.CC1CC1.CC1CCCCC1.CC1CCOCC1.COc1cc(F)ccc1C.Cc1cc(Cl)cc(Cl)c1.Cc1cc(F)c(F)cc1F.Cc1ccc(C(F)(F)F)o1.Cc1ccc(F)c(C)c1.Cc1ccc(F)cc1C.Cc1ccc(F)cc1Cl.Cc1ccc(F)cn1.Cc1ccc(OC(F)(F)F)c(F)c1.Cc1ccsc1Cl.Cc1csc(C)n1.Cc1ncc(F)cc1F.

What is the InChIKey of 2-chloro-4-fluoro-1-methylbenzene;2-chloro-3-methylthiophene;1,3-dichloro-5-methylbenzene;3,5-difluoro-2-methylpyridine;2,4-dimethyl-1,3-thiazole;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-4-methyl-1-(trifluoromethoxy)benzene;methylcyclohexane;methylcyclopropane;4-methyloxane;2-methyl-5-(trifluoromethyl)furan;1,1,1-trifluoroethane;1,2,4-trifluoro-5-methylbenzene?

The InChIKey is LPPKYUMMFOXYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O.C8H9FO.2C8H9F.C7H6Cl2.C7H6ClF.C7H5F3.C7H14.C6H5F3O.C6H5F2N.C6H6FN.C6H12O.C5H5ClS.C5H7NS.C4H8.C2H3F3/c1-5-2-3-7(6(9)4-5)13-8(10,11)12;1-6-3-4-7(9)5-8(6)10-2;1-6-3-4-8(9)5-7(6)2;1-6-3-4-8(9)7(2)5-6;1-5-2-6(8)4-7(9)3-5;1-5-2-3-6(9)4-7(5)8;1-4-2-6(9)7(10)3-5(4)8;1-7-5-3-2-4-6-7;1-4-2-3-5(10-4)6(7,8)9;1-4-6(8)2-5(7)3-9-4;1-5-2-3-6(7)4-8-5;1-6-2-4-7-5-3-6;1-4-2-3-7-5(4)6;1-4-3-7-5(2)6-4;1-4-2-3-4;1-2(3,4)5/h2-4H,1H3;3-5H,1-2H3;2*3-5H,1-2H3;2*2-4H,1H3;2-3H,1H3;7H,2-6H2,1H3;2-3H,1H3;2-3H,1H3;2-4H,1H3;6H,2-5H2,1H3;2-3H,1H3;3H,1-2H3;4H,2-3H2,1H3;1H3.

What are the key properties of 2-chloro-4-fluoro-1-methylbenzene;2-chloro-3-methylthiophene;1,3-dichloro-5-methylbenzene;3,5-difluoro-2-methylpyridine;2,4-dimethyl-1,3-thiazole;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-4-methyl-1-(trifluoromethoxy)benzene;methylcyclohexane;methylcyclopropane;4-methyloxane;2-methyl-5-(trifluoromethyl)furan;1,1,1-trifluoroethane;1,2,4-trifluoro-5-methylbenzene?

2-chloro-4-fluoro-1-methylbenzene;2-chloro-3-methylthiophene;1,3-dichloro-5-methylbenzene;3,5-difluoro-2-methylpyridine;2,4-dimethyl-1,3-thiazole;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-4-methyl-1-(trifluoromethoxy)benzene;methylcyclohexane;methylcyclopropane;4-methyloxane;2-methyl-5-(trifluoromethyl)furan;1,1,1-trifluoroethane;1,2,4-trifluoro-5-methylbenzene has a molecular weight of 2008.94 g/mol, XLogP of 35.84, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-fluoro-1-methylbenzene;2-chloro-3-methylthiophene;1,3-dichloro-5-methylbenzene;3,5-difluoro-2-methylpyridine;2,4-dimethyl-1,3-thiazole;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;4-fluoro-2-methoxy-1-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-4-methyl-1-(trifluoromethoxy)benzene;methylcyclohexane;methylcyclopropane;4-methyloxane;2-methyl-5-(trifluoromethyl)furan;1,1,1-trifluoroethane;1,2,4-trifluoro-5-methylbenzene is sourced from PubChem (CID 159419687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).