1-(2,2-dibromoethenyl)-2-fluorobenzene

C8H5Br2F — CID 643344

IUPAC1-(2,2-dibromoethenyl)-2-fluorobenzene
SMILESFc1ccccc1C=C(Br)Br
InChIInChI=1S/C8H5Br2F/c9-8(10)5-6-3-1-2-4-7(6)11/h1-5H
InChIKeyRKZSZHAKTJXEQU-UHFFFAOYSA-N
MW279.93 g/mol
LogP3.91
Rot. Bonds1

About 1-(2,2-dibromoethenyl)-2-fluorobenzene

1-(2,2-dibromoethenyl)-2-fluorobenzene (PubChem CID 643344) has the molecular formula C8H5Br2F and a molecular weight of 279.93 g/mol. Its IUPAC name is 1-(2,2-dibromoethenyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(2,2-dibromoethenyl)-2-fluorobenzene
PubChem CID643344
Molecular FormulaC8H5Br2F
Molecular Weight279.93 g/mol
Exact Mass277.87
IUPAC Name1-(2,2-dibromoethenyl)-2-fluorobenzene
SMILESFc1ccccc1C=C(Br)Br
InChIInChI=1S/C8H5Br2F/c9-8(10)5-6-3-1-2-4-7(6)11/h1-5H
InChIKeyRKZSZHAKTJXEQU-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.93
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dibromoethenyl)-2-fluorobenzene?
The IUPAC name of 1-(2,2-dibromoethenyl)-2-fluorobenzene (CID 643344) is 1-(2,2-dibromoethenyl)-2-fluorobenzene.
What is the SMILES notation for 1-(2,2-dibromoethenyl)-2-fluorobenzene?
The canonical SMILES for 1-(2,2-dibromoethenyl)-2-fluorobenzene is Fc1ccccc1C=C(Br)Br.
What is the InChIKey of 1-(2,2-dibromoethenyl)-2-fluorobenzene?
The InChIKey is RKZSZHAKTJXEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2F/c9-8(10)5-6-3-1-2-4-7(6)11/h1-5H.
What are the key properties of 1-(2,2-dibromoethenyl)-2-fluorobenzene?
1-(2,2-dibromoethenyl)-2-fluorobenzene has a molecular weight of 279.93 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dibromoethenyl)-2-fluorobenzene is sourced from PubChem (CID 643344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).