tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene)

C99H150F12 — CID 162180141

About tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene)

tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene) (PubChem CID 162180141) has the molecular formula C99H150F12 and a molecular weight of 1568.26 g/mol. Its IUPAC name is tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene).

Molecular Properties

• Compound Name: tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene)
• PubChem CID: 162180141
• Molecular Formula: C99H150F12
• Molecular Weight: 1568.26 g/mol
• Exact Mass: 1567.15
• IUPAC Name: tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene)
• SMILES: C.C.C.C.C.C.C.C.C.C.C.CC1CCC(C)CC1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1.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)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.[H][H]
• InChI: InChI=1S/4C8H8F2.4C8H9F.C8H16.2C8H10.11CH4.H2/c4*1-5-3-7(9)6(2)8(10)4-5;4*1-6-3-4-7(2)8(9)5-6;3*1-7-3-5-8(2)6-4-7;;;;;;;;;;;;/h4*3-4H,1-2H3;4*3-5H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;11*1H4;1H
• InChIKey: ZOXHRKGRDBVIFC-UHFFFAOYSA-N
• XLogP: 34.78
• TPSA: 0.00 Ų
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1568.26
LogP ≤ 5	34.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene)?

The IUPAC name of 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) is tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene).

What is the SMILES notation for tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene)?

The canonical SMILES for tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene) is C.C.C.C.C.C.C.C.C.C.C.CC1CCC(C)CC1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1.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)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.[H][H].

What is the InChIKey of tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene)?

The InChIKey is ZOXHRKGRDBVIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H8F2.4C8H9F.C8H16.2C8H10.11CH4.H2/c4*1-5-3-7(9)6(2)8(10)4-5;4*1-6-3-4-7(2)8(9)5-6;3*1-7-3-5-8(2)6-4-7;;;;;;;;;;;;/h4*3-4H,1-2H3;4*3-5H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;11*1H4;1H.

What are the key properties of tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene)?

tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene) has a molecular weight of 1568.26 g/mol, XLogP of 34.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene) is sourced from PubChem (CID 162180141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).