bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene

C24H27F3 — CID 143106792

IUPACbis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene
SMILESCCc1ccc(F)cc1.CCc1ccc(F)cc1.Cc1ccc(F)cc1C
InChIInChI=1S/3C8H9F/c1-6-3-4-8(9)5-7(6)2;2*1-2-7-3-5-8(9)6-4-7/h3-5H,1-2H3;2*3-6H,2H2,1H3
InChIKeyDFKNVAJHSUJFFV-UHFFFAOYSA-N
MW372.47 g/mol
LogP7.22
Rot. Bonds2

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

bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene (PubChem CID 143106792) has the molecular formula C24H27F3 and a molecular weight of 372.47 g/mol. Its IUPAC name is bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene.

Molecular Properties

Compound Namebis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene
PubChem CID143106792
Molecular FormulaC24H27F3
Molecular Weight372.47 g/mol
Exact Mass372.21
IUPAC Namebis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene
SMILESCCc1ccc(F)cc1.CCc1ccc(F)cc1.Cc1ccc(F)cc1C
InChIInChI=1S/3C8H9F/c1-6-3-4-8(9)5-7(6)2;2*1-2-7-3-5-8(9)6-4-7/h3-5H,1-2H3;2*3-6H,2H2,1H3
InChIKeyDFKNVAJHSUJFFV-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene
CID 142860311
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373157
4-ethyl-1,2-dimethylbenzene;1,4-xylene
CID 142969887
2-ethyl-6-fluoronaphthalene
CID 58787061
carbon dioxide;1-ethyl-4-fluorobenzene;methanethiol
CID 142000064
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373685
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833802
1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene
CID 102146472
ethane;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-2-methylbenzene
CID 164905149
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151

Frequently Asked Questions

What is the IUPAC name of bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene?
The IUPAC name of bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene (CID 143106792) is bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene.
What is the SMILES notation for bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene?
The canonical SMILES for bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene is CCc1ccc(F)cc1.CCc1ccc(F)cc1.Cc1ccc(F)cc1C.
What is the InChIKey of bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene?
The InChIKey is DFKNVAJHSUJFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H9F/c1-6-3-4-8(9)5-7(6)2;2*1-2-7-3-5-8(9)6-4-7/h3-5H,1-2H3;2*3-6H,2H2,1H3.
What are the key properties of bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene?
bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene has a molecular weight of 372.47 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene is sourced from PubChem (CID 143106792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).