2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene

C120H126Cl4F16N4O10 — CID 159725534

IUPAC2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene
SMILESCC(C)COc1cccc(F)c1.CC(F)(F)Oc1ccc(OC(F)(F)F)cc1.CC(F)(F)Oc1cccc(F)c1.CN(C)C(=O)c1cccc(F)c1.CN(C)C(=O)c1ccccc1.CN(C)C(=O)c1ccccc1F.CNC(=O)c1ccccc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(F)cc1.Cc1cccc(Cl)c1.Fc1ccc(Cl)cc1.Fc1ccccc1Cl.OCCc1ccc(F)cc1.OCc1ccc(F)cc1
InChIInChI=1S/C10H13FO.C9H7F5O2.2C9H10FNO.C9H11NO.C9H12.C8H9Cl.C8H7F3O.C8H9FO.C8H9NO.C7H7Cl.C7H7FO.C7H7F.2C6H4ClF/c1-8(2)7-12-10-5-3-4-9(11)6-10;1-8(10,11)15-6-2-4-7(5-3-6)16-9(12,13)14;1-11(2)9(12)7-4-3-5-8(10)6-7;1-11(2)9(12)7-5-3-4-6-8(7)10;1-10(2)9(11)8-6-4-3-5-7-8;1-7-4-5-8(2)9(3)6-7;1-6-3-4-7(2)8(9)5-6;1-8(10,11)12-7-4-2-3-6(9)5-7;9-8-3-1-7(2-4-8)5-6-10;1-9-8(10)7-5-3-2-4-6-7;1-6-3-2-4-7(8)5-6;8-7-3-1-6(5-9)2-4-7;1-6-2-4-7(8)5-3-6;7-5-1-3-6(8)4-2-5;7-5-3-1-2-4-6(5)8/h3-6,8H,7H2,1-2H3;2-5H,1H3;2*3-6H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;2-5H,1H3;1-4,10H,5-6H2;2-6H,1H3,(H,9,10);2-5H,1H3;1-4,9H,5H2;2-5H,1H3;2*1-4H
InChIKeyNAOWEABJMZFPFJ-UHFFFAOYSA-N
MW2230.13 g/mol
LogP32.73
Rot. Bonds15

About 2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene

2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene (PubChem CID 159725534) has the molecular formula C120H126Cl4F16N4O10 and a molecular weight of 2230.13 g/mol. Its IUPAC name is 2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene.

Molecular Properties

Compound Name2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene
PubChem CID159725534
Molecular FormulaC120H126Cl4F16N4O10
Molecular Weight2230.13 g/mol
Exact Mass2226.80
IUPAC Name2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene
SMILESCC(C)COc1cccc(F)c1.CC(F)(F)Oc1ccc(OC(F)(F)F)cc1.CC(F)(F)Oc1cccc(F)c1.CN(C)C(=O)c1cccc(F)c1.CN(C)C(=O)c1ccccc1.CN(C)C(=O)c1ccccc1F.CNC(=O)c1ccccc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(F)cc1.Cc1cccc(Cl)c1.Fc1ccc(Cl)cc1.Fc1ccccc1Cl.OCCc1ccc(F)cc1.OCc1ccc(F)cc1
InChIInChI=1S/C10H13FO.C9H7F5O2.2C9H10FNO.C9H11NO.C9H12.C8H9Cl.C8H7F3O.C8H9FO.C8H9NO.C7H7Cl.C7H7FO.C7H7F.2C6H4ClF/c1-8(2)7-12-10-5-3-4-9(11)6-10;1-8(10,11)15-6-2-4-7(5-3-6)16-9(12,13)14;1-11(2)9(12)7-4-3-5-8(10)6-7;1-11(2)9(12)7-5-3-4-6-8(7)10;1-10(2)9(11)8-6-4-3-5-7-8;1-7-4-5-8(2)9(3)6-7;1-6-3-4-7(2)8(9)5-6;1-8(10,11)12-7-4-2-3-6(9)5-7;9-8-3-1-7(2-4-8)5-6-10;1-9-8(10)7-5-3-2-4-6-7;1-6-3-2-4-7(8)5-6;8-7-3-1-6(5-9)2-4-7;1-6-2-4-7(8)5-3-6;7-5-1-3-6(8)4-2-5;7-5-3-1-2-4-6(5)8/h3-6,8H,7H2,1-2H3;2-5H,1H3;2*3-6H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;2-5H,1H3;1-4,10H,5-6H2;2-6H,1H3,(H,9,10);2-5H,1H3;1-4,9H,5H2;2-5H,1H3;2*1-4H
InChIKeyNAOWEABJMZFPFJ-UHFFFAOYSA-N
XLogP32.73
TPSA167.41 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002230.13
LogP ≤ 532.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene?
The IUPAC name of 2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene (CID 159725534) is 2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene.
What is the SMILES notation for 2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene?
The canonical SMILES for 2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene is CC(C)COc1cccc(F)c1.CC(F)(F)Oc1ccc(OC(F)(F)F)cc1.CC(F)(F)Oc1cccc(F)c1.CN(C)C(=O)c1cccc(F)c1.CN(C)C(=O)c1ccccc1.CN(C)C(=O)c1ccccc1F.CNC(=O)c1ccccc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(F)cc1.Cc1cccc(Cl)c1.Fc1ccc(Cl)cc1.Fc1ccccc1Cl.OCCc1ccc(F)cc1.OCc1ccc(F)cc1.
What is the InChIKey of 2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene?
The InChIKey is NAOWEABJMZFPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO.C9H7F5O2.2C9H10FNO.C9H11NO.C9H12.C8H9Cl.C8H7F3O.C8H9FO.C8H9NO.C7H7Cl.C7H7FO.C7H7F.2C6H4ClF/c1-8(2)7-12-10-5-3-4-9(11)6-10;1-8(10,11)15-6-2-4-7(5-3-6)16-9(12,13)14;1-11(2)9(12)7-4-3-5-8(10)6-7;1-11(2)9(12)7-5-3-4-6-8(7)10;1-10(2)9(11)8-6-4-3-5-7-8;1-7-4-5-8(2)9(3)6-7;1-6-3-4-7(2)8(9)5-6;1-8(10,11)12-7-4-2-3-6(9)5-7;9-8-3-1-7(2-4-8)5-6-10;1-9-8(10)7-5-3-2-4-6-7;1-6-3-2-4-7(8)5-6;8-7-3-1-6(5-9)2-4-7;1-6-2-4-7(8)5-3-6;7-5-1-3-6(8)4-2-5;7-5-3-1-2-4-6(5)8/h3-6,8H,7H2,1-2H3;2-5H,1H3;2*3-6H,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;2-5H,1H3;1-4,10H,5-6H2;2-6H,1H3,(H,9,10);2-5H,1H3;1-4,9H,5H2;2-5H,1H3;2*1-4H.
What are the key properties of 2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene?
2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene has a molecular weight of 2230.13 g/mol, XLogP of 32.73, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene is sourced from PubChem (CID 159725534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).