bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene

C40H60F2 — CID 159175057

IUPACbis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
SMILESCC1CCC(C)CC1.CC1CCC(C)CC1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1
InChIInChI=1S/2C8H9F.2C8H16.C8H10/c2*1-6-3-4-7(2)8(9)5-6;3*1-7-3-5-8(2)6-4-7/h2*3-5H,1-2H3;2*7-8H,3-6H2,1-2H3;3-6H,1-2H3
InChIKeyKMECYRWDCHBABP-UHFFFAOYSA-N
MW578.92 g/mol
LogP12.85
Rot. Bonds

About bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene

bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene (PubChem CID 159175057) has the molecular formula C40H60F2 and a molecular weight of 578.92 g/mol. Its IUPAC name is bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene.

Molecular Properties

Compound Namebis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
PubChem CID159175057
Molecular FormulaC40H60F2
Molecular Weight578.92 g/mol
Exact Mass578.47
IUPAC Namebis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
SMILESCC1CCC(C)CC1.CC1CCC(C)CC1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1
InChIInChI=1S/2C8H9F.2C8H16.C8H10/c2*1-6-3-4-7(2)8(9)5-6;3*1-7-3-5-8(2)6-4-7/h2*3-5H,1-2H3;2*7-8H,3-6H2,1-2H3;3-6H,1-2H3
InChIKeyKMECYRWDCHBABP-UHFFFAOYSA-N
XLogP12.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.92
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
CID 161430430
CID 161430430
cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)
CID 159241517
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
2,3-difluoro-1,4-dimethylbenzene;1,4-dimethylcyclohexane;bis(2,5-dimethyl-1,3-dioxane);bis(2-fluoro-1,4-dimethylbenzene);molecular hydrogen;1,4-xylene
CID 158502096
carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
CID 159178199
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
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
1,4-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

Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene?
The IUPAC name of bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene (CID 159175057) is bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene.
What is the SMILES notation for bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene?
The canonical SMILES for bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene is CC1CCC(C)CC1.CC1CCC(C)CC1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.
What is the InChIKey of bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene?
The InChIKey is KMECYRWDCHBABP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9F.2C8H16.C8H10/c2*1-6-3-4-7(2)8(9)5-6;3*1-7-3-5-8(2)6-4-7/h2*3-5H,1-2H3;2*7-8H,3-6H2,1-2H3;3-6H,1-2H3.
What are the key properties of bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene?
bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene has a molecular weight of 578.92 g/mol, XLogP of 12.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene is sourced from PubChem (CID 159175057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).