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

C50H76F4 — CID 159953163

IUPAC2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene
SMILESC.C.CC1CCC(C)CC1.CC1CCC(C)CC1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1
InChIInChI=1S/C8H8F2.2C8H9F.2C8H16.C8H10.2CH4/c1-5-3-4-6(2)8(10)7(5)9;2*1-6-3-4-7(2)8(9)5-6;3*1-7-3-5-8(2)6-4-7;;/h3-4H,1-2H3;2*3-5H,1-2H3;2*7-8H,3-6H2,1-2H3;3-6H,1-2H3;2*1H4
InChIKeyOCJJGCDCQPQLRU-UHFFFAOYSA-N
MW753.15 g/mol
LogP16.71
Rot. Bonds

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

2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene (PubChem CID 159953163) has the molecular formula C50H76F4 and a molecular weight of 753.15 g/mol. Its IUPAC name is 2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene.

Molecular Properties

Compound Name2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene
PubChem CID159953163
Molecular FormulaC50H76F4
Molecular Weight753.15 g/mol
Exact Mass752.59
IUPAC Name2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene
SMILESC.C.CC1CCC(C)CC1.CC1CCC(C)CC1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1
InChIInChI=1S/C8H8F2.2C8H9F.2C8H16.C8H10.2CH4/c1-5-3-4-6(2)8(10)7(5)9;2*1-6-3-4-7(2)8(9)5-6;3*1-7-3-5-8(2)6-4-7;;/h3-4H,1-2H3;2*3-5H,1-2H3;2*7-8H,3-6H2,1-2H3;3-6H,1-2H3;2*1H4
InChIKeyOCJJGCDCQPQLRU-UHFFFAOYSA-N
XLogP16.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.15
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 161430430
CID 161430430
1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);methane
CID 161294963
bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 159175057
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
cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)
CID 159241517
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
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
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442
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
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
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

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene?
The IUPAC name of 2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene (CID 159953163) is 2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene.
What is the SMILES notation for 2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene?
The canonical SMILES for 2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene is C.C.CC1CCC(C)CC1.CC1CCC(C)CC1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1.
What is the InChIKey of 2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene?
The InChIKey is OCJJGCDCQPQLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2.2C8H9F.2C8H16.C8H10.2CH4/c1-5-3-4-6(2)8(10)7(5)9;2*1-6-3-4-7(2)8(9)5-6;3*1-7-3-5-8(2)6-4-7;;/h3-4H,1-2H3;2*3-5H,1-2H3;2*7-8H,3-6H2,1-2H3;3-6H,1-2H3;2*1H4.
What are the key properties of 2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene?
2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene has a molecular weight of 753.15 g/mol, XLogP of 16.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene is sourced from PubChem (CID 159953163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).