bromobenzene;fluoromethylphosphane;hydrobromide

C19H20Br4FP — CID 173365513

IUPACbromobenzene;fluoromethylphosphane;hydrobromide
SMILESBr.Brc1ccccc1.Brc1ccccc1.Brc1ccccc1.FCP
InChIInChI=1S/3C6H5Br.CH4FP.BrH/c3*7-6-4-2-1-3-5-6;2-1-3;/h3*1-5H;1,3H2;1H
InChIKeyNXUFUJVRCMZKDW-UHFFFAOYSA-N
MW617.96 g/mol
LogP8.71
Rot. Bonds

About bromobenzene;fluoromethylphosphane;hydrobromide

bromobenzene;fluoromethylphosphane;hydrobromide (PubChem CID 173365513) has the molecular formula C19H20Br4FP and a molecular weight of 617.96 g/mol. Its IUPAC name is bromobenzene;fluoromethylphosphane;hydrobromide.

Molecular Properties

Compound Namebromobenzene;fluoromethylphosphane;hydrobromide
PubChem CID173365513
Molecular FormulaC19H20Br4FP
Molecular Weight617.96 g/mol
Exact Mass613.80
IUPAC Namebromobenzene;fluoromethylphosphane;hydrobromide
SMILESBr.Brc1ccccc1.Brc1ccccc1.Brc1ccccc1.FCP
InChIInChI=1S/3C6H5Br.CH4FP.BrH/c3*7-6-4-2-1-3-5-6;2-1-3;/h3*1-5H;1,3H2;1H
InChIKeyNXUFUJVRCMZKDW-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.96
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromobenzene;fluoromethylphosphane;hydrobromide?
The IUPAC name of bromobenzene;fluoromethylphosphane;hydrobromide (CID 173365513) is bromobenzene;fluoromethylphosphane;hydrobromide.
What is the SMILES notation for bromobenzene;fluoromethylphosphane;hydrobromide?
The canonical SMILES for bromobenzene;fluoromethylphosphane;hydrobromide is Br.Brc1ccccc1.Brc1ccccc1.Brc1ccccc1.FCP.
What is the InChIKey of bromobenzene;fluoromethylphosphane;hydrobromide?
The InChIKey is NXUFUJVRCMZKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5Br.CH4FP.BrH/c3*7-6-4-2-1-3-5-6;2-1-3;/h3*1-5H;1,3H2;1H.
What are the key properties of bromobenzene;fluoromethylphosphane;hydrobromide?
bromobenzene;fluoromethylphosphane;hydrobromide has a molecular weight of 617.96 g/mol, XLogP of 8.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;fluoromethylphosphane;hydrobromide is sourced from PubChem (CID 173365513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).