6-(dibromomethyl)-2-fluorocyclohexa-1,3-diene

C7H7Br2F — CID 130242255

IUPAC6-(dibromomethyl)-2-fluorocyclohexa-1,3-diene
SMILESFC1=CC(C(Br)Br)CC=C1
InChIInChI=1S/C7H7Br2F/c8-7(9)5-2-1-3-6(10)4-5/h1,3-5,7H,2H2
InChIKeyQWVPDRHIXTYWPX-UHFFFAOYSA-N
MW269.94 g/mol
LogP3.53
Rot. Bonds1

About 6-(dibromomethyl)-2-fluorocyclohexa-1,3-diene

6-(dibromomethyl)-2-fluorocyclohexa-1,3-diene (PubChem CID 130242255) has the molecular formula C7H7Br2F and a molecular weight of 269.94 g/mol. Its IUPAC name is 6-(dibromomethyl)-2-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name6-(dibromomethyl)-2-fluorocyclohexa-1,3-diene
PubChem CID130242255
Molecular FormulaC7H7Br2F
Molecular Weight269.94 g/mol
Exact Mass267.89
IUPAC Name6-(dibromomethyl)-2-fluorocyclohexa-1,3-diene
SMILESFC1=CC(C(Br)Br)CC=C1
InChIInChI=1S/C7H7Br2F/c8-7(9)5-2-1-3-6(10)4-5/h1,3-5,7H,2H2
InChIKeyQWVPDRHIXTYWPX-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.94
LogP ≤ 53.53
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-(dibromomethyl)-2-fluorocyclohexa-1,3-diene?
The IUPAC name of 6-(dibromomethyl)-2-fluorocyclohexa-1,3-diene (CID 130242255) is 6-(dibromomethyl)-2-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 6-(dibromomethyl)-2-fluorocyclohexa-1,3-diene?
The canonical SMILES for 6-(dibromomethyl)-2-fluorocyclohexa-1,3-diene is FC1=CC(C(Br)Br)CC=C1.
What is the InChIKey of 6-(dibromomethyl)-2-fluorocyclohexa-1,3-diene?
The InChIKey is QWVPDRHIXTYWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2F/c8-7(9)5-2-1-3-6(10)4-5/h1,3-5,7H,2H2.
What are the key properties of 6-(dibromomethyl)-2-fluorocyclohexa-1,3-diene?
6-(dibromomethyl)-2-fluorocyclohexa-1,3-diene has a molecular weight of 269.94 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dibromomethyl)-2-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 130242255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).