5-fluoro-2,4-dimethylhex-2-ene

C8H15F — CID 58926989

IUPAC5-fluoro-2,4-dimethylhex-2-ene
SMILESCC(C)=CC(C)C(C)F
InChIInChI=1S/C8H15F/c1-6(2)5-7(3)8(4)9/h5,7-8H,1-4H3
InChIKeyPWYRIFCPXKUWFA-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.95
Rot. Bonds2

About 5-fluoro-2,4-dimethylhex-2-ene

5-fluoro-2,4-dimethylhex-2-ene (PubChem CID 58926989) has the molecular formula C8H15F and a molecular weight of 130.21 g/mol. Its IUPAC name is 5-fluoro-2,4-dimethylhex-2-ene.

Molecular Properties

Compound Name5-fluoro-2,4-dimethylhex-2-ene
PubChem CID58926989
Molecular FormulaC8H15F
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name5-fluoro-2,4-dimethylhex-2-ene
SMILESCC(C)=CC(C)C(C)F
InChIInChI=1S/C8H15F/c1-6(2)5-7(3)8(4)9/h5,7-8H,1-4H3
InChIKeyPWYRIFCPXKUWFA-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-fluoro-2,4-dimethylhex-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dimethylhex-2-ene?
The IUPAC name of 5-fluoro-2,4-dimethylhex-2-ene (CID 58926989) is 5-fluoro-2,4-dimethylhex-2-ene.
What is the SMILES notation for 5-fluoro-2,4-dimethylhex-2-ene?
The canonical SMILES for 5-fluoro-2,4-dimethylhex-2-ene is CC(C)=CC(C)C(C)F.
What is the InChIKey of 5-fluoro-2,4-dimethylhex-2-ene?
The InChIKey is PWYRIFCPXKUWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F/c1-6(2)5-7(3)8(4)9/h5,7-8H,1-4H3.
What are the key properties of 5-fluoro-2,4-dimethylhex-2-ene?
5-fluoro-2,4-dimethylhex-2-ene has a molecular weight of 130.21 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dimethylhex-2-ene is sourced from PubChem (CID 58926989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).