(1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene

C8H11F — CID 59080652

IUPAC(1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene
SMILESCC1=CC[C@@H]2[C@H]1[C@]2(C)F
InChIInChI=1S/C8H11F/c1-5-3-4-6-7(5)8(6,2)9/h3,6-7H,4H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyMGELYVNRKUBEKK-GJMOJQLCSA-N
MW126.17 g/mol
LogP2.31
Rot. Bonds

About (1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene

(1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene (PubChem CID 59080652) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is (1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name(1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene
PubChem CID59080652
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name(1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene
SMILESCC1=CC[C@@H]2[C@H]1[C@]2(C)F
InChIInChI=1S/C8H11F/c1-5-3-4-6-7(5)8(6,2)9/h3,6-7H,4H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyMGELYVNRKUBEKK-GJMOJQLCSA-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 (1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene?
The IUPAC name of (1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene (CID 59080652) is (1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for (1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene?
The canonical SMILES for (1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene is CC1=CC[C@@H]2[C@H]1[C@]2(C)F.
What is the InChIKey of (1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene?
The InChIKey is MGELYVNRKUBEKK-GJMOJQLCSA-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/t6-,7+,8-/m1/s1.
What are the key properties of (1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene?
(1R,5R,6R)-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 (1R,5R,6R)-6-fluoro-2,6-dimethylbicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 59080652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).