2-fluoro-1,4-dimethylbenzene;bis(nonane)

C26H49F — CID 143987706

IUPAC2-fluoro-1,4-dimethylbenzene;bis(nonane)
SMILESCCCCCCCCC.CCCCCCCCC.Cc1ccc(C)c(F)c1
InChIInChI=1S/2C9H20.C8H9F/c2*1-3-5-7-9-8-6-4-2;1-6-3-4-7(2)8(9)5-6/h2*3-9H2,1-2H3;3-5H,1-2H3
InChIKeyOJDIIZCAOYWNCV-UHFFFAOYSA-N
MW380.68 g/mol
LogP9.96
Rot. Bonds12

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

2-fluoro-1,4-dimethylbenzene;bis(nonane) (PubChem CID 143987706) has the molecular formula C26H49F and a molecular weight of 380.68 g/mol. Its IUPAC name is 2-fluoro-1,4-dimethylbenzene;bis(nonane).

Molecular Properties

Compound Name2-fluoro-1,4-dimethylbenzene;bis(nonane)
PubChem CID143987706
Molecular FormulaC26H49F
Molecular Weight380.68 g/mol
Exact Mass380.38
IUPAC Name2-fluoro-1,4-dimethylbenzene;bis(nonane)
SMILESCCCCCCCCC.CCCCCCCCC.Cc1ccc(C)c(F)c1
InChIInChI=1S/2C9H20.C8H9F/c2*1-3-5-7-9-8-6-4-2;1-6-3-4-7(2)8(9)5-6/h2*3-9H2,1-2H3;3-5H,1-2H3
InChIKeyOJDIIZCAOYWNCV-UHFFFAOYSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.68
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;2-fluoro-1,4-dimethylbenzene;propane
CID 144971037
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
CID 159178199
N-decyl-3-fluoro-4-methylaniline
CID 63488478
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene
CID 159574523
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 91513157
2-bromo-1-fluoro-4-methylbenzene;ethane;nonane
CID 143643780
1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);methane
CID 161294963

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,4-dimethylbenzene;bis(nonane)?
The IUPAC name of 2-fluoro-1,4-dimethylbenzene;bis(nonane) (CID 143987706) is 2-fluoro-1,4-dimethylbenzene;bis(nonane).
What is the SMILES notation for 2-fluoro-1,4-dimethylbenzene;bis(nonane)?
The canonical SMILES for 2-fluoro-1,4-dimethylbenzene;bis(nonane) is CCCCCCCCC.CCCCCCCCC.Cc1ccc(C)c(F)c1.
What is the InChIKey of 2-fluoro-1,4-dimethylbenzene;bis(nonane)?
The InChIKey is OJDIIZCAOYWNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H20.C8H9F/c2*1-3-5-7-9-8-6-4-2;1-6-3-4-7(2)8(9)5-6/h2*3-9H2,1-2H3;3-5H,1-2H3.
What are the key properties of 2-fluoro-1,4-dimethylbenzene;bis(nonane)?
2-fluoro-1,4-dimethylbenzene;bis(nonane) has a molecular weight of 380.68 g/mol, XLogP of 9.96, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4-dimethylbenzene;bis(nonane) is sourced from PubChem (CID 143987706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).