cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)

C62H82F6 — CID 159241517

IUPACcyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)
SMILESC1CCCCC1.CC1CCC(C)CC1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1
InChIInChI=1S/2C8H8F2.2C8H9F.C8H16.2C8H10.C6H12/c2*1-5-3-7(9)6(2)8(10)4-5;2*1-6-3-4-7(2)8(9)5-6;3*1-7-3-5-8(2)6-4-7;1-2-4-6-5-3-1/h2*3-4H,1-2H3;2*3-5H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;1-6H2
InChIKeyKUDUXWFLROIMSC-UHFFFAOYSA-N
MW941.33 g/mol
LogP19.83
Rot. Bonds

About cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)

cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene) (PubChem CID 159241517) has the molecular formula C62H82F6 and a molecular weight of 941.33 g/mol. Its IUPAC name is cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene).

Molecular Properties

Compound Namecyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)
PubChem CID159241517
Molecular FormulaC62H82F6
Molecular Weight941.33 g/mol
Exact Mass940.63
IUPAC Namecyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)
SMILESC1CCCCC1.CC1CCC(C)CC1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1
InChIInChI=1S/2C8H8F2.2C8H9F.C8H16.2C8H10.C6H12/c2*1-5-3-7(9)6(2)8(10)4-5;2*1-6-3-4-7(2)8(9)5-6;3*1-7-3-5-8(2)6-4-7;1-2-4-6-5-3-1/h2*3-4H,1-2H3;2*3-5H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;1-6H2
InChIKeyKUDUXWFLROIMSC-UHFFFAOYSA-N
XLogP19.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.33
LogP ≤ 519.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene)
CID 162180141
bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 159175057
1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);methane
CID 161294963
2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene
CID 159953163
1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene)
CID 161434306
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene
CID 161158761
1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene
CID 158469546
1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene
CID 159879283
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 91513157
CID 161430430
CID 161430430
1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular iodine;1,4-xylene
CID 161338746
bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);1,4-xylene
CID 159040721

Frequently Asked Questions

What is the IUPAC name of cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)?
The IUPAC name of cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene) (CID 159241517) is cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene).
What is the SMILES notation for cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)?
The canonical SMILES for cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene) is C1CCCCC1.CC1CCC(C)CC1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.
What is the InChIKey of cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)?
The InChIKey is KUDUXWFLROIMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8F2.2C8H9F.C8H16.2C8H10.C6H12/c2*1-5-3-7(9)6(2)8(10)4-5;2*1-6-3-4-7(2)8(9)5-6;3*1-7-3-5-8(2)6-4-7;1-2-4-6-5-3-1/h2*3-4H,1-2H3;2*3-5H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;1-6H2.
What are the key properties of cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)?
cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene) has a molecular weight of 941.33 g/mol, XLogP of 19.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene) is sourced from PubChem (CID 159241517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).