1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine

C197H291Cl2F9N14O3S — CID 157182503

About 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine

1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine (PubChem CID 157182503) has the molecular formula C197H291Cl2F9N14O3S and a molecular weight of 3177.54 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine
• PubChem CID: 157182503
• Molecular Formula: C197H291Cl2F9N14O3S
• Molecular Weight: 3177.54 g/mol
• Exact Mass: 3174.20
• IUPAC Name: 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1CN(C)C.CC(C)c1ccccc1CO.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1ncccc1C#N.CC(C)c1ncccc1C(F)(F)F.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccn1.COc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C
• InChI: InChI=1S/C12H19N.C10H11F3.C10H11N.2C10H14O.C10H14.C9H11Cl.C9H10F3N.2C9H11F.C9H10N2.C9H13N.C9H12.C8H10ClN.C8H10FN.2C8H11N.2C7H10N2.C7H10O.C7H10S.12CH4/c1-10(2)12-8-6-5-7-11(12)9-13(3)4;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-8(6-10)4-3-5-11-9;1-7(2)9-8(3)5-4-6-10-9;1-8(2)9-6-4-3-5-7-9;2*1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;2*1-6(2)7-4-3-5-8-7;;;;;;;;;;;;/h5-8,10H,9H2,1-4H3;3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4-8H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-5,7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3;12*1H4
• InChIKey: AOSPHVPNZGZLFF-UHFFFAOYSA-N
• XLogP: 63.33
• TPSA: 235.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3177.54
LogP ≤ 5	63.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine?

The IUPAC name of 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine (CID 157182503) is 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine.

What is the SMILES notation for 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine?

The canonical SMILES for 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine is C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1CN(C)C.CC(C)c1ccccc1CO.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1ncccc1C#N.CC(C)c1ncccc1C(F)(F)F.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccn1.COc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C.

What is the InChIKey of 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine?

The InChIKey is AOSPHVPNZGZLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C10H11F3.C10H11N.2C10H14O.C10H14.C9H11Cl.C9H10F3N.2C9H11F.C9H10N2.C9H13N.C9H12.C8H10ClN.C8H10FN.2C8H11N.2C7H10N2.C7H10O.C7H10S.12CH4/c1-10(2)12-8-6-5-7-11(12)9-13(3)4;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-8(6-10)4-3-5-11-9;1-7(2)9-8(3)5-4-6-10-9;1-8(2)9-6-4-3-5-7-9;2*1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;2*1-6(2)7-4-3-5-8-7;;;;;;;;;;;;/h5-8,10H,9H2,1-4H3;3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4-8H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-5,7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3;12*1H4.

What are the key properties of 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine?

1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine has a molecular weight of 3177.54 g/mol, XLogP of 63.33, 25 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 157182503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).