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

C7H6Br2F2 — CID 67426993

IUPAC2-bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene
SMILESFC1(F)C=C(Br)C=CC1CBr
InChIInChI=1S/C7H6Br2F2/c8-4-5-1-2-6(9)3-7(5,10)11/h1-3,5H,4H2
InChIKeyPPTAUZKAJZQMHI-UHFFFAOYSA-N
MW287.93 g/mol
LogP3.48
Rot. Bonds1

About 2-bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene

2-bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene (PubChem CID 67426993) has the molecular formula C7H6Br2F2 and a molecular weight of 287.93 g/mol. Its IUPAC name is 2-bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene
PubChem CID67426993
Molecular FormulaC7H6Br2F2
Molecular Weight287.93 g/mol
Exact Mass285.88
IUPAC Name2-bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene
SMILESFC1(F)C=C(Br)C=CC1CBr
InChIInChI=1S/C7H6Br2F2/c8-4-5-1-2-6(9)3-7(5,10)11/h1-3,5H,4H2
InChIKeyPPTAUZKAJZQMHI-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.93
LogP ≤ 53.48
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 2-bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene?
The IUPAC name of 2-bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene (CID 67426993) is 2-bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 2-bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene?
The canonical SMILES for 2-bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene is FC1(F)C=C(Br)C=CC1CBr.
What is the InChIKey of 2-bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene?
The InChIKey is PPTAUZKAJZQMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2F2/c8-4-5-1-2-6(9)3-7(5,10)11/h1-3,5H,4H2.
What are the key properties of 2-bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene?
2-bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene has a molecular weight of 287.93 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 67426993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).