1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene

C16H23F — CID 143612352

IUPAC1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene
SMILESCC1=CCC(C)CC1.Cc1ccc(C)c(F)c1
InChIInChI=1S/C8H9F.C8H14/c1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7/h3-5H,1-2H3;3,8H,4-6H2,1-2H3
InChIKeyMRLRTLRNVZLSDL-UHFFFAOYSA-N
MW234.36 g/mol
LogP5.20
Rot. Bonds

About 1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene

1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene (PubChem CID 143612352) has the molecular formula C16H23F and a molecular weight of 234.36 g/mol. Its IUPAC name is 1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene.

Molecular Properties

Compound Name1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene
PubChem CID143612352
Molecular FormulaC16H23F
Molecular Weight234.36 g/mol
Exact Mass234.18
IUPAC Name1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene
SMILESCC1=CCC(C)CC1.Cc1ccc(C)c(F)c1
InChIInChI=1S/C8H9F.C8H14/c1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7/h3-5H,1-2H3;3,8H,4-6H2,1-2H3
InChIKeyMRLRTLRNVZLSDL-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.36
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene?
The IUPAC name of 1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene (CID 143612352) is 1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene.
What is the SMILES notation for 1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene?
The canonical SMILES for 1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene is CC1=CCC(C)CC1.Cc1ccc(C)c(F)c1.
What is the InChIKey of 1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene?
The InChIKey is MRLRTLRNVZLSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.C8H14/c1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7/h3-5H,1-2H3;3,8H,4-6H2,1-2H3.
What are the key properties of 1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene?
1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene has a molecular weight of 234.36 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene is sourced from PubChem (CID 143612352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).