5-bromo-3-fluorocyclohexene

C6H8BrF — CID 89127778

IUPAC5-bromo-3-fluorocyclohexene
SMILESFC1C=CCC(Br)C1
InChIInChI=1S/C6H8BrF/c7-5-2-1-3-6(8)4-5/h1,3,5-6H,2,4H2
InChIKeyFEDSAUHBBIVRPD-UHFFFAOYSA-N
MW179.03 g/mol
LogP2.44
Rot. Bonds

About 5-bromo-3-fluorocyclohexene

5-bromo-3-fluorocyclohexene (PubChem CID 89127778) has the molecular formula C6H8BrF and a molecular weight of 179.03 g/mol. Its IUPAC name is 5-bromo-3-fluorocyclohexene.

Molecular Properties

Compound Name5-bromo-3-fluorocyclohexene
PubChem CID89127778
Molecular FormulaC6H8BrF
Molecular Weight179.03 g/mol
Exact Mass177.98
IUPAC Name5-bromo-3-fluorocyclohexene
SMILESFC1C=CCC(Br)C1
InChIInChI=1S/C6H8BrF/c7-5-2-1-3-6(8)4-5/h1,3,5-6H,2,4H2
InChIKeyFEDSAUHBBIVRPD-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.03
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluorocyclohexene?
The IUPAC name of 5-bromo-3-fluorocyclohexene (CID 89127778) is 5-bromo-3-fluorocyclohexene.
What is the SMILES notation for 5-bromo-3-fluorocyclohexene?
The canonical SMILES for 5-bromo-3-fluorocyclohexene is FC1C=CCC(Br)C1.
What is the InChIKey of 5-bromo-3-fluorocyclohexene?
The InChIKey is FEDSAUHBBIVRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrF/c7-5-2-1-3-6(8)4-5/h1,3,5-6H,2,4H2.
What are the key properties of 5-bromo-3-fluorocyclohexene?
5-bromo-3-fluorocyclohexene has a molecular weight of 179.03 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluorocyclohexene is sourced from PubChem (CID 89127778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).