6-bromo-5,5-difluorocyclohexa-1,3-diene

C6H5BrF2 — CID 154291804

IUPAC6-bromo-5,5-difluorocyclohexa-1,3-diene
SMILESFC1(F)C=CC=CC1Br
InChIInChI=1S/C6H5BrF2/c7-5-3-1-2-4-6(5,8)9/h1-5H
InChIKeyAKWNPNAHBHDFOE-UHFFFAOYSA-N
MW195.01 g/mol
LogP2.51
Rot. Bonds

About 6-bromo-5,5-difluorocyclohexa-1,3-diene

6-bromo-5,5-difluorocyclohexa-1,3-diene (PubChem CID 154291804) has the molecular formula C6H5BrF2 and a molecular weight of 195.01 g/mol. Its IUPAC name is 6-bromo-5,5-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name6-bromo-5,5-difluorocyclohexa-1,3-diene
PubChem CID154291804
Molecular FormulaC6H5BrF2
Molecular Weight195.01 g/mol
Exact Mass193.95
IUPAC Name6-bromo-5,5-difluorocyclohexa-1,3-diene
SMILESFC1(F)C=CC=CC1Br
InChIInChI=1S/C6H5BrF2/c7-5-3-1-2-4-6(5,8)9/h1-5H
InChIKeyAKWNPNAHBHDFOE-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.01
LogP ≤ 52.51
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 6-bromo-5,5-difluorocyclohexa-1,3-diene?
The IUPAC name of 6-bromo-5,5-difluorocyclohexa-1,3-diene (CID 154291804) is 6-bromo-5,5-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 6-bromo-5,5-difluorocyclohexa-1,3-diene?
The canonical SMILES for 6-bromo-5,5-difluorocyclohexa-1,3-diene is FC1(F)C=CC=CC1Br.
What is the InChIKey of 6-bromo-5,5-difluorocyclohexa-1,3-diene?
The InChIKey is AKWNPNAHBHDFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2/c7-5-3-1-2-4-6(5,8)9/h1-5H.
What are the key properties of 6-bromo-5,5-difluorocyclohexa-1,3-diene?
6-bromo-5,5-difluorocyclohexa-1,3-diene has a molecular weight of 195.01 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,5-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 154291804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).