1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene

C28H43F3 — CID 161158761

IUPAC1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene
SMILESC.C.C.C.Cc1cc(F)c(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1
InChIInChI=1S/C8H8F2.C8H9F.C8H10.4CH4/c1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7;;;;/h3-4H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;4*1H4
InChIKeyUPQNHALIJFBBCJ-UHFFFAOYSA-N
MW436.65 g/mol
LogP9.87
Rot. Bonds

About 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene

1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene (PubChem CID 161158761) has the molecular formula C28H43F3 and a molecular weight of 436.65 g/mol. Its IUPAC name is 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene.

Molecular Properties

Compound Name1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene
PubChem CID161158761
Molecular FormulaC28H43F3
Molecular Weight436.65 g/mol
Exact Mass436.33
IUPAC Name1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene
SMILESC.C.C.C.Cc1cc(F)c(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1
InChIInChI=1S/C8H8F2.C8H9F.C8H10.4CH4/c1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7;;;;/h3-4H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;4*1H4
InChIKeyUPQNHALIJFBBCJ-UHFFFAOYSA-N
XLogP9.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.65
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 91513157
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
1,3-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);1-fluoro-2,3,5-trimethylbenzene;1,4-xylene
CID 160791382
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
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;1,3,4-trifluoro-2,5-dimethylbenzene
CID 160856568
carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
CID 159178199
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)
CID 159241517
2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
CID 159574523
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442
ethane;2-fluoro-1,4-dimethylbenzene;propane
CID 144971037
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 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene?
The IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene (CID 161158761) is 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene.
What is the SMILES notation for 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene?
The canonical SMILES for 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene is C.C.C.C.Cc1cc(F)c(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.
What is the InChIKey of 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene?
The InChIKey is UPQNHALIJFBBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2.C8H9F.C8H10.4CH4/c1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7;;;;/h3-4H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;4*1H4.
What are the key properties of 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene?
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene has a molecular weight of 436.65 g/mol, XLogP of 9.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;methane;1,4-xylene is sourced from PubChem (CID 161158761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).