1,3-difluoro-2,5-dimethylbenzene;hexane

C14H22F2 — CID 144528127

IUPAC1,3-difluoro-2,5-dimethylbenzene;hexane
SMILESCCCCCC.Cc1cc(F)c(C)c(F)c1
InChIInChI=1S/C8H8F2.C6H14/c1-5-3-7(9)6(2)8(10)4-5;1-3-5-6-4-2/h3-4H,1-2H3;3-6H2,1-2H3
InChIKeyHCLUKADKWKNDSI-UHFFFAOYSA-N
MW228.33 g/mol
LogP5.17
Rot. Bonds3

About 1,3-difluoro-2,5-dimethylbenzene;hexane

1,3-difluoro-2,5-dimethylbenzene;hexane (PubChem CID 144528127) has the molecular formula C14H22F2 and a molecular weight of 228.33 g/mol. Its IUPAC name is 1,3-difluoro-2,5-dimethylbenzene;hexane.

Molecular Properties

Compound Name1,3-difluoro-2,5-dimethylbenzene;hexane
PubChem CID144528127
Molecular FormulaC14H22F2
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name1,3-difluoro-2,5-dimethylbenzene;hexane
SMILESCCCCCC.Cc1cc(F)c(C)c(F)c1
InChIInChI=1S/C8H8F2.C6H14/c1-5-3-7(9)6(2)8(10)4-5;1-3-5-6-4-2/h3-4H,1-2H3;3-6H2,1-2H3
InChIKeyHCLUKADKWKNDSI-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.33
LogP ≤ 55.17
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

CID 144806033
CID 144806033
2-fluoro-1,4-dimethylbenzene;bis(nonane)
CID 143987706
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
1-ethoxy-3-fluoro-2,5-dimethylbenzene
CID 59933400
1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene
CID 153368730
1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene
CID 131118392
1,3-difluoro-2,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 91513157
1,2-difluoro-3-[(E)-hept-1-enyl]-5-methylbenzene
CID 10966155
1-(2-fluoro-4,6-dimethylphenyl)heptylhydrazine
CID 106884598
1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene
CID 131074450
5-bromo-1,3-difluoro-2-methylbenzene;propane
CID 142352464
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;hexane?
The IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;hexane (CID 144528127) is 1,3-difluoro-2,5-dimethylbenzene;hexane.
What is the SMILES notation for 1,3-difluoro-2,5-dimethylbenzene;hexane?
The canonical SMILES for 1,3-difluoro-2,5-dimethylbenzene;hexane is CCCCCC.Cc1cc(F)c(C)c(F)c1.
What is the InChIKey of 1,3-difluoro-2,5-dimethylbenzene;hexane?
The InChIKey is HCLUKADKWKNDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2.C6H14/c1-5-3-7(9)6(2)8(10)4-5;1-3-5-6-4-2/h3-4H,1-2H3;3-6H2,1-2H3.
What are the key properties of 1,3-difluoro-2,5-dimethylbenzene;hexane?
1,3-difluoro-2,5-dimethylbenzene;hexane has a molecular weight of 228.33 g/mol, XLogP of 5.17, 3 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;hexane is sourced from PubChem (CID 144528127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).