2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene)

C143H232F4N6O6 — CID 164989054

IUPAC2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene)
SMILESC.CC.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1COC(C)OC1.CC1COC(C)OC1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.[H][H].[H][H]
InChIInChI=1S/C8H8F2.2C8H9F.3C8H16.2C8H14.3C8H10.2C7H9N.2C7H14O.2C6H8N2.2C6H12O2.C2H6.CH4.2H2/c1-5-3-4-6(2)8(10)7(5)9;2*1-6-3-4-7(2)8(9)5-6;8*1-7-3-5-8(2)6-4-7;4*1-6-3-4-7(2)8-5-6;4*1-5-3-7-6(2)8-4-5;1-2;;;/h3-4H,1-2H3;2*3-5H,1-2H3;3*7-8H,3-6H2,1-2H3;2*3,8H,4-6H2,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3;2*6-7H,3-5H2,1-2H3;2*3-4H,1-2H3;2*5-6H,3-4H2,1-2H3;1-2H3;1H4;2*1H
InChIKeyGPARMWSJHHRMCB-UHFFFAOYSA-N
MW2207.46 g/mol
LogP41.79
Rot. Bonds

About 2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene)

2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene) (PubChem CID 164989054) has the molecular formula C143H232F4N6O6 and a molecular weight of 2207.46 g/mol. Its IUPAC name is 2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene).

Molecular Properties

Compound Name2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene)
PubChem CID164989054
Molecular FormulaC143H232F4N6O6
Molecular Weight2207.46 g/mol
Exact Mass2205.80
IUPAC Name2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene)
SMILESC.CC.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1COC(C)OC1.CC1COC(C)OC1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.[H][H].[H][H]
InChIInChI=1S/C8H8F2.2C8H9F.3C8H16.2C8H14.3C8H10.2C7H9N.2C7H14O.2C6H8N2.2C6H12O2.C2H6.CH4.2H2/c1-5-3-4-6(2)8(10)7(5)9;2*1-6-3-4-7(2)8(9)5-6;8*1-7-3-5-8(2)6-4-7;4*1-6-3-4-7(2)8-5-6;4*1-5-3-7-6(2)8-4-5;1-2;;;/h3-4H,1-2H3;2*3-5H,1-2H3;3*7-8H,3-6H2,1-2H3;2*3,8H,4-6H2,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3;2*6-7H,3-5H2,1-2H3;2*3-4H,1-2H3;2*5-6H,3-4H2,1-2H3;1-2H3;1H4;2*1H
InChIKeyGPARMWSJHHRMCB-UHFFFAOYSA-N
XLogP41.79
TPSA132.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002207.46
LogP ≤ 541.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene)?
The IUPAC name of 2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene) (CID 164989054) is 2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene).
What is the SMILES notation for 2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene)?
The canonical SMILES for 2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene) is C.CC.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1COC(C)OC1.CC1COC(C)OC1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.[H][H].[H][H].
What is the InChIKey of 2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene)?
The InChIKey is GPARMWSJHHRMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2.2C8H9F.3C8H16.2C8H14.3C8H10.2C7H9N.2C7H14O.2C6H8N2.2C6H12O2.C2H6.CH4.2H2/c1-5-3-4-6(2)8(10)7(5)9;2*1-6-3-4-7(2)8(9)5-6;8*1-7-3-5-8(2)6-4-7;4*1-6-3-4-7(2)8-5-6;4*1-5-3-7-6(2)8-4-5;1-2;;;/h3-4H,1-2H3;2*3-5H,1-2H3;3*7-8H,3-6H2,1-2H3;2*3,8H,4-6H2,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3;2*6-7H,3-5H2,1-2H3;2*3-4H,1-2H3;2*5-6H,3-4H2,1-2H3;1-2H3;1H4;2*1H.
What are the key properties of 2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene)?
2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene) has a molecular weight of 2207.46 g/mol, XLogP of 41.79, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1,4-dimethylbenzene;tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;tris(1,4-xylene) is sourced from PubChem (CID 164989054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).