1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene

C86H115Cl5F6N2 — CID 159904130

IUPAC1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(F)(F)F)c(Cl)c1.Cc1c(Cl)cc(C(C)C)cc1C(C)C.Cc1cc(C)c(C(C)C)cc1Cl.Cc1ccc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cc1C(F)(F)F.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1Cl
InChIInChI=1S/C13H19Cl.C13H20.C11H15Cl.C11H13F3.C10H10ClF3.C10H13Cl.C9H12ClN.C9H13N/c1-8(2)11-6-12(9(3)4)10(5)13(14)7-11;1-9(2)12-7-6-11(5)13(8-12)10(3)4;1-7(2)10-6-11(12)9(4)5-8(10)3;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-6(2)7-3-4-8(9(11)5-7)10(12,13)14;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)8-5-4-7(3)9(10)11-8;1-7(2)9-5-4-8(3)10-6-9/h6-9H,1-5H3;6-10H,1-5H3;5-7H,1-4H3;4-7H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3
InChIKeyNWIOGFFCYKQXDZ-UHFFFAOYSA-N
MW1468.13 g/mol
LogP31.29
Rot. Bonds10

About 1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene

1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 159904130) has the molecular formula C86H115Cl5F6N2 and a molecular weight of 1468.13 g/mol. Its IUPAC name is 1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID159904130
Molecular FormulaC86H115Cl5F6N2
Molecular Weight1468.13 g/mol
Exact Mass1464.74
IUPAC Name1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(F)(F)F)c(Cl)c1.Cc1c(Cl)cc(C(C)C)cc1C(C)C.Cc1cc(C)c(C(C)C)cc1Cl.Cc1ccc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cc1C(F)(F)F.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1Cl
InChIInChI=1S/C13H19Cl.C13H20.C11H15Cl.C11H13F3.C10H10ClF3.C10H13Cl.C9H12ClN.C9H13N/c1-8(2)11-6-12(9(3)4)10(5)13(14)7-11;1-9(2)12-7-6-11(5)13(8-12)10(3)4;1-7(2)10-6-11(12)9(4)5-8(10)3;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-6(2)7-3-4-8(9(11)5-7)10(12,13)14;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)8-5-4-7(3)9(10)11-8;1-7(2)9-5-4-8(3)10-6-9/h6-9H,1-5H3;6-10H,1-5H3;5-7H,1-4H3;4-7H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3
InChIKeyNWIOGFFCYKQXDZ-UHFFFAOYSA-N
XLogP31.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001468.13
LogP ≤ 531.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene (CID 159904130) is 1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene is CC(C)c1ccc(C(F)(F)F)c(Cl)c1.Cc1c(Cl)cc(C(C)C)cc1C(C)C.Cc1cc(C)c(C(C)C)cc1Cl.Cc1ccc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cc1C(F)(F)F.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1Cl.
What is the InChIKey of 1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is NWIOGFFCYKQXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl.C13H20.C11H15Cl.C11H13F3.C10H10ClF3.C10H13Cl.C9H12ClN.C9H13N/c1-8(2)11-6-12(9(3)4)10(5)13(14)7-11;1-9(2)12-7-6-11(5)13(8-12)10(3)4;1-7(2)10-6-11(12)9(4)5-8(10)3;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-6(2)7-3-4-8(9(11)5-7)10(12,13)14;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)8-5-4-7(3)9(10)11-8;1-7(2)9-5-4-8(3)10-6-9/h6-9H,1-5H3;6-10H,1-5H3;5-7H,1-4H3;4-7H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3.
What are the key properties of 1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene?
1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 1468.13 g/mol, XLogP of 31.29, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,4-dimethyl-5-propan-2-ylbenzene;1-chloro-2-methyl-3,5-di(propan-2-yl)benzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-3-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-5-propan-2-ylpyridine;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 159904130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).