5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene

C7H6BrF3 — CID 87687797

IUPAC5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene
SMILESFC1=CC=CC(F)(CBr)C1F
InChIInChI=1S/C7H6BrF3/c8-4-7(11)3-1-2-5(9)6(7)10/h1-3,6H,4H2
InChIKeyUZENUPFBWORKGG-UHFFFAOYSA-N
MW227.02 g/mol
LogP2.85
Rot. Bonds1

About 5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene

5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene (PubChem CID 87687797) has the molecular formula C7H6BrF3 and a molecular weight of 227.02 g/mol. Its IUPAC name is 5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene
PubChem CID87687797
Molecular FormulaC7H6BrF3
Molecular Weight227.02 g/mol
Exact Mass225.96
IUPAC Name5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene
SMILESFC1=CC=CC(F)(CBr)C1F
InChIInChI=1S/C7H6BrF3/c8-4-7(11)3-1-2-5(9)6(7)10/h1-3,6H,4H2
InChIKeyUZENUPFBWORKGG-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.02
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-2,6-difluorocyclohexa-1,3-diene
CID 17859847
5-Bromo-2,6,6-trifluorocyclohexa-1,3-diene
CID 18429011
5-Bromo-1-fluorocyclohexa-1,3-diene
CID 18696359
6-(Bromomethyl)-5,5-difluorocyclohexa-1,3-diene
CID 18699038
6-(2-Bromoethyl)-1,6-difluorocyclohexa-1,4-diene
CID 18767237
1-Bromo-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22041247
5-Bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene
CID 23056494
5-[(E)-3-bromoprop-1-enyl]-2-fluorocyclohexa-1,3-diene
CID 23150785
5,6-Dibromo-5-fluorocyclohexa-1,3-diene
CID 66666104
5-(Bromomethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 66770018
1-Bromo-2,4-difluorotoluene
CID 66969920
1-Bromo-3-fluorobenzyl bromide
CID 67334594

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene?
The IUPAC name of 5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene (CID 87687797) is 5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene?
The canonical SMILES for 5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene is FC1=CC=CC(F)(CBr)C1F.
What is the InChIKey of 5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene?
The InChIKey is UZENUPFBWORKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3/c8-4-7(11)3-1-2-5(9)6(7)10/h1-3,6H,4H2.
What are the key properties of 5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene?
5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene has a molecular weight of 227.02 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1,5,6-trifluorocyclohexa-1,3-diene is sourced from PubChem (CID 87687797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).