6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene

C8H11F — CID 23516099

IUPAC6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene
SMILESCC1=CCC2C1C2(C)F
InChIInChI=1S/C8H11F/c1-5-3-4-6-7(5)8(6,2)9/h3,6-7H,4H2,1-2H3
InChIKeyMGELYVNRKUBEKK-UHFFFAOYSA-N
MW126.17 g/mol
LogP2.31
Rot. Bonds

About 6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene

6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene (PubChem CID 23516099) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is 6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene
PubChem CID23516099
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene
SMILESCC1=CCC2C1C2(C)F
InChIInChI=1S/C8H11F/c1-5-3-4-6-7(5)8(6,2)9/h3,6-7H,4H2,1-2H3
InChIKeyMGELYVNRKUBEKK-UHFFFAOYSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.31
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 6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene?
The IUPAC name of 6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene (CID 23516099) is 6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for 6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene?
The canonical SMILES for 6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene is CC1=CCC2C1C2(C)F.
What is the InChIKey of 6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene?
The InChIKey is MGELYVNRKUBEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F/c1-5-3-4-6-7(5)8(6,2)9/h3,6-7H,4H2,1-2H3.
What are the key properties of 6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene?
6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene has a molecular weight of 126.17 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 23516099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).