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;bis(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

C187H254Cl2F6N14O3S — CID 161488765

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;bis(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

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;bis(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 (PubChem CID 161488765) has the molecular formula C187H254Cl2F6N14O3S and a molecular weight of 2963.14 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;bis(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.

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;bis(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
• PubChem CID: 161488765
• Molecular Formula: C187H254Cl2F6N14O3S
• Molecular Weight: 2963.14 g/mol
• Exact Mass: 2959.92
• 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;bis(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
• SMILES: 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)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccn1.COc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C.Cc1cccnc1C(C)C
• InChI: InChI=1S/C12H19N.C10H11F3.C10H11N.2C10H14O.C10H14.C9H11Cl.2C9H11F.C9H10N2.2C9H13N.C9H12.C8H10ClN.C8H10FN.2C8H11N.2C7H10N2.C7H10O.C7H10S.2CH4/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;1-7(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;2*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*3-7H,1-2H3;3-5,7H,1-2H3;2*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;2*1H4
• InChIKey: WFIDETWVDQPPTP-UHFFFAOYSA-N
• XLogP: 56.26
• TPSA: 235.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2963.14
LogP ≤ 5	56.26
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;bis(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?

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;bis(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 (CID 161488765) 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;bis(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.

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;bis(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?

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;bis(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 is 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)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccn1.COc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1cccnc1C(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;bis(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?

The InChIKey is WFIDETWVDQPPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C10H11F3.C10H11N.2C10H14O.C10H14.C9H11Cl.2C9H11F.C9H10N2.2C9H13N.C9H12.C8H10ClN.C8H10FN.2C8H11N.2C7H10N2.C7H10O.C7H10S.2CH4/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;1-7(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;2*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*3-7H,1-2H3;3-5,7H,1-2H3;2*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;2*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;bis(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?

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;bis(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 has a molecular weight of 2963.14 g/mol, XLogP of 56.26, 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;bis(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 is sourced from PubChem (CID 161488765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).