bromobenzene;trihydrofluoride

C18H18Br3F3 — CID 173004651

IUPACbromobenzene;trihydrofluoride
SMILESBrc1ccccc1.Brc1ccccc1.Brc1ccccc1.F.F.F
InChIInChI=1S/3C6H5Br.3FH/c3*7-6-4-2-1-3-5-6;;;/h3*1-5H;3*1H
InChIKeyRTAILEXLHYRFLT-UHFFFAOYSA-N
MW531.05 g/mol
LogP7.80
Rot. Bonds

About bromobenzene;trihydrofluoride

bromobenzene;trihydrofluoride (PubChem CID 173004651) has the molecular formula C18H18Br3F3 and a molecular weight of 531.05 g/mol. Its IUPAC name is bromobenzene;trihydrofluoride.

Molecular Properties

Compound Namebromobenzene;trihydrofluoride
PubChem CID173004651
Molecular FormulaC18H18Br3F3
Molecular Weight531.05 g/mol
Exact Mass527.89
IUPAC Namebromobenzene;trihydrofluoride
SMILESBrc1ccccc1.Brc1ccccc1.Brc1ccccc1.F.F.F
InChIInChI=1S/3C6H5Br.3FH/c3*7-6-4-2-1-3-5-6;;;/h3*1-5H;3*1H
InChIKeyRTAILEXLHYRFLT-UHFFFAOYSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.05
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bromobenzene;hydrofluoride
CID 158803829
bromo(413C)cyclohexatriene
CID 66995401
bromo(113C)cyclohexatriene
CID 11094888
CID 159525408
CID 159525408
bromobenzene;hydroiodide
CID 161399395
cesium;bromobenzene;hydride
CID 174679233
bromobenzene;formaldehyde
CID 175054829
CID 45052166
CID 45052166
1,3-dibromocyclodeca-1,3,5,7,9-pentaene
CID 144708258
CID 162102234
CID 162102234
bromobenzene;ethanol
CID 134249194
bromobenzene;cyclohexa-2,5-diene-1,4-dione
CID 174480452

Frequently Asked Questions

What is the IUPAC name of bromobenzene;trihydrofluoride?
The IUPAC name of bromobenzene;trihydrofluoride (CID 173004651) is bromobenzene;trihydrofluoride.
What is the SMILES notation for bromobenzene;trihydrofluoride?
The canonical SMILES for bromobenzene;trihydrofluoride is Brc1ccccc1.Brc1ccccc1.Brc1ccccc1.F.F.F.
What is the InChIKey of bromobenzene;trihydrofluoride?
The InChIKey is RTAILEXLHYRFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5Br.3FH/c3*7-6-4-2-1-3-5-6;;;/h3*1-5H;3*1H.
What are the key properties of bromobenzene;trihydrofluoride?
bromobenzene;trihydrofluoride has a molecular weight of 531.05 g/mol, XLogP of 7.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;trihydrofluoride is sourced from PubChem (CID 173004651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).