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

C7H7BrF2 — CID 18699038

IUPAC6-(bromomethyl)-5,5-difluorocyclohexa-1,3-diene
SMILESFC1(F)C=CC=CC1CBr
InChIInChI=1S/C7H7BrF2/c8-5-6-3-1-2-4-7(6,9)10/h1-4,6H,5H2
InChIKeyYCWNHPHGWQJETO-UHFFFAOYSA-N
MW209.03 g/mol
LogP2.76
Rot. Bonds1

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

6-(bromomethyl)-5,5-difluorocyclohexa-1,3-diene (PubChem CID 18699038) has the molecular formula C7H7BrF2 and a molecular weight of 209.03 g/mol. Its IUPAC name is 6-(bromomethyl)-5,5-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name6-(bromomethyl)-5,5-difluorocyclohexa-1,3-diene
PubChem CID18699038
Molecular FormulaC7H7BrF2
Molecular Weight209.03 g/mol
Exact Mass207.97
IUPAC Name6-(bromomethyl)-5,5-difluorocyclohexa-1,3-diene
SMILESFC1(F)C=CC=CC1CBr
InChIInChI=1S/C7H7BrF2/c8-5-6-3-1-2-4-7(6,9)10/h1-4,6H,5H2
InChIKeyYCWNHPHGWQJETO-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 52.76
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

Trifluoromethylcyclohexa-3,5-diene
CID 13523074
5-Bromo-2,6-difluorocyclohexa-1,3-diene
CID 17859847
5-Bromo-2,6,6-trifluorocyclohexa-1,3-diene
CID 18429011
1-Bromo-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22041247
5-Bromo-1,2,6-tris(trifluoromethyl)cyclohexa-1,3-diene
CID 22498007
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-2,4-difluorotoluene
CID 66969920
1-Bromo-3-fluorobenzyl bromide
CID 67334594
2-Bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene
CID 67426993
5-(Bromomethyl)-1,5-difluorocyclohexa-1,3-diene
CID 68796564

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-5,5-difluorocyclohexa-1,3-diene?
The IUPAC name of 6-(bromomethyl)-5,5-difluorocyclohexa-1,3-diene (CID 18699038) is 6-(bromomethyl)-5,5-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 6-(bromomethyl)-5,5-difluorocyclohexa-1,3-diene?
The canonical SMILES for 6-(bromomethyl)-5,5-difluorocyclohexa-1,3-diene is FC1(F)C=CC=CC1CBr.
What is the InChIKey of 6-(bromomethyl)-5,5-difluorocyclohexa-1,3-diene?
The InChIKey is YCWNHPHGWQJETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2/c8-5-6-3-1-2-4-7(6,9)10/h1-4,6H,5H2.
What are the key properties of 6-(bromomethyl)-5,5-difluorocyclohexa-1,3-diene?
6-(bromomethyl)-5,5-difluorocyclohexa-1,3-diene has a molecular weight of 209.03 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-5,5-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 18699038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).