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

C24H43F — CID 142844577

IUPAC1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene
SMILESCC1=C(F)CC(C)CC1.CC1=CCC(C)CC1.CC1CCC(C)CC1
InChIInChI=1S/C8H13F.C8H16.C8H14/c1-6-3-4-7(2)8(9)5-6;2*1-7-3-5-8(2)6-4-7/h6H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;3,8H,4-6H2,1-2H3
InChIKeyAMGXNIBTPGQLIQ-UHFFFAOYSA-N
MW350.61 g/mol
LogP8.64
Rot. Bonds

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

1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene (PubChem CID 142844577) has the molecular formula C24H43F and a molecular weight of 350.61 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene
PubChem CID142844577
Molecular FormulaC24H43F
Molecular Weight350.61 g/mol
Exact Mass350.33
IUPAC Name1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene
SMILESCC1=C(F)CC(C)CC1.CC1=CCC(C)CC1.CC1CCC(C)CC1
InChIInChI=1S/C8H13F.C8H16.C8H14/c1-6-3-4-7(2)8(9)5-6;2*1-7-3-5-8(2)6-4-7/h6H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;3,8H,4-6H2,1-2H3
InChIKeyAMGXNIBTPGQLIQ-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.61
LogP ≤ 58.64
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-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene?
The IUPAC name of 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene (CID 142844577) is 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene.
What is the SMILES notation for 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene?
The canonical SMILES for 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene is CC1=C(F)CC(C)CC1.CC1=CCC(C)CC1.CC1CCC(C)CC1.
What is the InChIKey of 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene?
The InChIKey is AMGXNIBTPGQLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F.C8H16.C8H14/c1-6-3-4-7(2)8(9)5-6;2*1-7-3-5-8(2)6-4-7/h6H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;3,8H,4-6H2,1-2H3.
What are the key properties of 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene?
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene has a molecular weight of 350.61 g/mol, XLogP of 8.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene is sourced from PubChem (CID 142844577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).