4-bromobenzoyl fluoride

C7H4BrFO — CID 23234152

IUPAC4-bromobenzoyl fluoride
SMILESO=C(F)c1ccc(Br)cc1
InChIInChI=1S/C7H4BrFO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChIKeySPKVPJFPBBPGDP-UHFFFAOYSA-N
MW203.01 g/mol
LogP2.56
Rot. Bonds1

About 4-bromobenzoyl fluoride

4-bromobenzoyl fluoride (PubChem CID 23234152) has the molecular formula C7H4BrFO and a molecular weight of 203.01 g/mol. Its IUPAC name is 4-bromobenzoyl fluoride.

Molecular Properties

Compound Name4-bromobenzoyl fluoride
PubChem CID23234152
Molecular FormulaC7H4BrFO
Molecular Weight203.01 g/mol
Exact Mass201.94
IUPAC Name4-bromobenzoyl fluoride
SMILESO=C(F)c1ccc(Br)cc1
InChIInChI=1S/C7H4BrFO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChIKeySPKVPJFPBBPGDP-UHFFFAOYSA-N
XLogP2.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.01
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromobenzoyl fluoride?
The IUPAC name of 4-bromobenzoyl fluoride (CID 23234152) is 4-bromobenzoyl fluoride.
What is the SMILES notation for 4-bromobenzoyl fluoride?
The canonical SMILES for 4-bromobenzoyl fluoride is O=C(F)c1ccc(Br)cc1.
What is the InChIKey of 4-bromobenzoyl fluoride?
The InChIKey is SPKVPJFPBBPGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H.
What are the key properties of 4-bromobenzoyl fluoride?
4-bromobenzoyl fluoride has a molecular weight of 203.01 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzoyl fluoride is sourced from PubChem (CID 23234152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).