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

C7H7BrF2 — CID 69178686

IUPAC5-(bromomethyl)-5,6-difluorocyclohexa-1,3-diene
SMILESFC1C=CC=CC1(F)CBr
InChIInChI=1S/C7H7BrF2/c8-5-7(10)4-2-1-3-6(7)9/h1-4,6H,5H2
InChIKeyUJZJKAJBLZFREC-UHFFFAOYSA-N
MW209.03 g/mol
LogP2.55
Rot. Bonds1

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

5-(bromomethyl)-5,6-difluorocyclohexa-1,3-diene (PubChem CID 69178686) has the molecular formula C7H7BrF2 and a molecular weight of 209.03 g/mol. Its IUPAC name is 5-(bromomethyl)-5,6-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(bromomethyl)-5,6-difluorocyclohexa-1,3-diene
PubChem CID69178686
Molecular FormulaC7H7BrF2
Molecular Weight209.03 g/mol
Exact Mass207.97
IUPAC Name5-(bromomethyl)-5,6-difluorocyclohexa-1,3-diene
SMILESFC1C=CC=CC1(F)CBr
InChIInChI=1S/C7H7BrF2/c8-5-7(10)4-2-1-3-6(7)9/h1-4,6H,5H2
InChIKeyUJZJKAJBLZFREC-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-5,6-difluorocyclohexa-1,3-diene?
The IUPAC name of 5-(bromomethyl)-5,6-difluorocyclohexa-1,3-diene (CID 69178686) is 5-(bromomethyl)-5,6-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-(bromomethyl)-5,6-difluorocyclohexa-1,3-diene?
The canonical SMILES for 5-(bromomethyl)-5,6-difluorocyclohexa-1,3-diene is FC1C=CC=CC1(F)CBr.
What is the InChIKey of 5-(bromomethyl)-5,6-difluorocyclohexa-1,3-diene?
The InChIKey is UJZJKAJBLZFREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2/c8-5-7(10)4-2-1-3-6(7)9/h1-4,6H,5H2.
What are the key properties of 5-(bromomethyl)-5,6-difluorocyclohexa-1,3-diene?
5-(bromomethyl)-5,6-difluorocyclohexa-1,3-diene has a molecular weight of 209.03 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-5,6-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 69178686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).