4-[bromo(difluoro)methyl]cyclohexene

C7H9BrF2 — CID 166894124

IUPAC4-[bromo(difluoro)methyl]cyclohexene
SMILESFC(F)(Br)C1CC=CCC1
InChIInChI=1S/C7H9BrF2/c8-7(9,10)6-4-2-1-3-5-6/h1-2,6H,3-5H2
InChIKeyOTLLGVZUYREEIX-UHFFFAOYSA-N
MW211.05 g/mol
LogP3.33
Rot. Bonds1

About 4-[bromo(difluoro)methyl]cyclohexene

4-[bromo(difluoro)methyl]cyclohexene (PubChem CID 166894124) has the molecular formula C7H9BrF2 and a molecular weight of 211.05 g/mol. Its IUPAC name is 4-[bromo(difluoro)methyl]cyclohexene.

Molecular Properties

Compound Name4-[bromo(difluoro)methyl]cyclohexene
PubChem CID166894124
Molecular FormulaC7H9BrF2
Molecular Weight211.05 g/mol
Exact Mass209.99
IUPAC Name4-[bromo(difluoro)methyl]cyclohexene
SMILESFC(F)(Br)C1CC=CCC1
InChIInChI=1S/C7H9BrF2/c8-7(9,10)6-4-2-1-3-5-6/h1-2,6H,3-5H2
InChIKeyOTLLGVZUYREEIX-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 53.33
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 4-[bromo(difluoro)methyl]cyclohexene?
The IUPAC name of 4-[bromo(difluoro)methyl]cyclohexene (CID 166894124) is 4-[bromo(difluoro)methyl]cyclohexene.
What is the SMILES notation for 4-[bromo(difluoro)methyl]cyclohexene?
The canonical SMILES for 4-[bromo(difluoro)methyl]cyclohexene is FC(F)(Br)C1CC=CCC1.
What is the InChIKey of 4-[bromo(difluoro)methyl]cyclohexene?
The InChIKey is OTLLGVZUYREEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrF2/c8-7(9,10)6-4-2-1-3-5-6/h1-2,6H,3-5H2.
What are the key properties of 4-[bromo(difluoro)methyl]cyclohexene?
4-[bromo(difluoro)methyl]cyclohexene has a molecular weight of 211.05 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo(difluoro)methyl]cyclohexene is sourced from PubChem (CID 166894124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).