6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene

C8H9Br2F — CID 174890174

IUPAC6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene
SMILESFC1=CC(CBr)(CBr)CC=C1
InChIInChI=1S/C8H9Br2F/c9-5-8(6-10)3-1-2-7(11)4-8/h1-2,4H,3,5-6H2
InChIKeyZPIJQOUYYVWHBE-UHFFFAOYSA-N
MW283.97 g/mol
LogP3.58
Rot. Bonds2

About 6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene

6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene (PubChem CID 174890174) has the molecular formula C8H9Br2F and a molecular weight of 283.97 g/mol. Its IUPAC name is 6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene
PubChem CID174890174
Molecular FormulaC8H9Br2F
Molecular Weight283.97 g/mol
Exact Mass281.91
IUPAC Name6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene
SMILESFC1=CC(CBr)(CBr)CC=C1
InChIInChI=1S/C8H9Br2F/c9-5-8(6-10)3-1-2-7(11)4-8/h1-2,4H,3,5-6H2
InChIKeyZPIJQOUYYVWHBE-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.97
LogP ≤ 53.58
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

1,2-Di bromostyrene
CID 22495076
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-(Bromomethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 66770018
1-(Bromomethyl)-2-(trifluoromethyl)benzyl bromide
CID 66772165
1-Bromo-3-fluorobenzyl bromide
CID 67334594
5-(Bromomethyl)-2-fluorocyclohexa-1,3-diene
CID 118592267
6-(Dibromomethyl)-2-fluorocyclohexa-1,3-diene
CID 130242255
1-Bromo-2-fluoro-6,6-dimethylcyclohexa-1,3-diene
CID 132196983
2-Bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene
CID 134404640
2,5-Bis(bromomethyl)-5-fluorocyclohexa-1,3-diene
CID 140112993
2-Bromo-5,5-bis(fluoromethyl)cyclohexa-1,3-diene
CID 140583083

Frequently Asked Questions

What is the IUPAC name of 6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene?
The IUPAC name of 6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene (CID 174890174) is 6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene?
The canonical SMILES for 6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene is FC1=CC(CBr)(CBr)CC=C1.
What is the InChIKey of 6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene?
The InChIKey is ZPIJQOUYYVWHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2F/c9-5-8(6-10)3-1-2-7(11)4-8/h1-2,4H,3,5-6H2.
What are the key properties of 6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene?
6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene has a molecular weight of 283.97 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-bis(bromomethyl)-2-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 174890174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).