4-(fluoromethyl)-1,4-dimethylcyclohexene

C9H15F — CID 123219541

IUPAC4-(fluoromethyl)-1,4-dimethylcyclohexene
SMILESCC1=CCC(C)(CF)CC1
InChIInChI=1S/C9H15F/c1-8-3-5-9(2,7-10)6-4-8/h3H,4-7H2,1-2H3
InChIKeyGJPUMIXUBLXGAV-UHFFFAOYSA-N
MW142.22 g/mol
LogP3.09
Rot. Bonds1

About 4-(fluoromethyl)-1,4-dimethylcyclohexene

4-(fluoromethyl)-1,4-dimethylcyclohexene (PubChem CID 123219541) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is 4-(fluoromethyl)-1,4-dimethylcyclohexene.

Molecular Properties

Compound Name4-(fluoromethyl)-1,4-dimethylcyclohexene
PubChem CID123219541
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name4-(fluoromethyl)-1,4-dimethylcyclohexene
SMILESCC1=CCC(C)(CF)CC1
InChIInChI=1S/C9H15F/c1-8-3-5-9(2,7-10)6-4-8/h3H,4-7H2,1-2H3
InChIKeyGJPUMIXUBLXGAV-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 53.09
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 4-(fluoromethyl)-1,4-dimethylcyclohexene?
The IUPAC name of 4-(fluoromethyl)-1,4-dimethylcyclohexene (CID 123219541) is 4-(fluoromethyl)-1,4-dimethylcyclohexene.
What is the SMILES notation for 4-(fluoromethyl)-1,4-dimethylcyclohexene?
The canonical SMILES for 4-(fluoromethyl)-1,4-dimethylcyclohexene is CC1=CCC(C)(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)-1,4-dimethylcyclohexene?
The InChIKey is GJPUMIXUBLXGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F/c1-8-3-5-9(2,7-10)6-4-8/h3H,4-7H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-1,4-dimethylcyclohexene?
4-(fluoromethyl)-1,4-dimethylcyclohexene has a molecular weight of 142.22 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1,4-dimethylcyclohexene is sourced from PubChem (CID 123219541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).