1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene

C73H92ClF5N4O — CID 157121746

About 1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene

1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 157121746) has the molecular formula C73H92ClF5N4O and a molecular weight of 1172.01 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: 1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene
• PubChem CID: 157121746
• Molecular Formula: C73H92ClF5N4O
• Molecular Weight: 1172.01 g/mol
• Exact Mass: 1170.69
• IUPAC Name: 1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene
• SMILES: CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ncccc1F.CC(C)c1ncccn1.COc1ccccc1C(C)C.Cc1ccccc1C(C)C
• InChI: InChI=1S/C10H11F3.C10H11N.C10H14O.C10H14.C9H11Cl.C9H11F.C8H10FN.C7H10N2/c1-7(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)10-7-5-4-6-9(10)3;2*1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-8-4-3-5-9-7/h3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;4-8H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;3-6H,1-2H3
• InChIKey: AIAZPLANHSHJHI-UHFFFAOYSA-N
• XLogP: 22.80
• TPSA: 71.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1172.01
LogP ≤ 5	22.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene?

The IUPAC name of 1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene (CID 157121746) is 1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene.

What is the SMILES notation for 1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene?

The canonical SMILES for 1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene is CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CC(C)c1ncccc1F.CC(C)c1ncccn1.COc1ccccc1C(C)C.Cc1ccccc1C(C)C.

What is the InChIKey of 1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene?

The InChIKey is AIAZPLANHSHJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3.C10H11N.C10H14O.C10H14.C9H11Cl.C9H11F.C8H10FN.C7H10N2/c1-7(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)10-7-5-4-6-9(10)3;2*1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-8-4-3-5-9-7/h3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;4-8H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3;3-6H,1-2H3.

What are the key properties of 1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene?

1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 1172.01 g/mol, XLogP of 22.80, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 157121746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).