bromobenzene;hydrofluoride

C6H6BrF — CID 158803829

IUPACbromobenzene;hydrofluoride
SMILESBrc1ccccc1.F
InChIInChI=1S/C6H5Br.FH/c7-6-4-2-1-3-5-6;/h1-5H;1H
InChIKeyPGKDTBQFJZUJSC-UHFFFAOYSA-N
MW177.02 g/mol
LogP2.60
Rot. Bonds

About bromobenzene;hydrofluoride

bromobenzene;hydrofluoride (PubChem CID 158803829) has the molecular formula C6H6BrF and a molecular weight of 177.02 g/mol. Its IUPAC name is bromobenzene;hydrofluoride.

Molecular Properties

Compound Namebromobenzene;hydrofluoride
PubChem CID158803829
Molecular FormulaC6H6BrF
Molecular Weight177.02 g/mol
Exact Mass175.96
IUPAC Namebromobenzene;hydrofluoride
SMILESBrc1ccccc1.F
InChIInChI=1S/C6H5Br.FH/c7-6-4-2-1-3-5-6;/h1-5H;1H
InChIKeyPGKDTBQFJZUJSC-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.02
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 159525408
bromobenzene;hydroiodide
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cesium;bromobenzene;hydride
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bromobenzene;formaldehyde
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CID 45052166
1,3-dibromocyclodeca-1,3,5,7,9-pentaene
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bromobenzene;ethanol
CID 134249194
bromobenzene;cyclohexa-2,5-diene-1,4-dione
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Frequently Asked Questions

What is the IUPAC name of bromobenzene;hydrofluoride?
The IUPAC name of bromobenzene;hydrofluoride (CID 158803829) is bromobenzene;hydrofluoride.
What is the SMILES notation for bromobenzene;hydrofluoride?
The canonical SMILES for bromobenzene;hydrofluoride is Brc1ccccc1.F.
What is the InChIKey of bromobenzene;hydrofluoride?
The InChIKey is PGKDTBQFJZUJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.FH/c7-6-4-2-1-3-5-6;/h1-5H;1H.
What are the key properties of bromobenzene;hydrofluoride?
bromobenzene;hydrofluoride has a molecular weight of 177.02 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;hydrofluoride is sourced from PubChem (CID 158803829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).