4-chlorobenzoyl fluoride

C7H4ClFO — CID 11040973

IUPAC4-chlorobenzoyl fluoride
SMILESO=C(F)c1ccc(Cl)cc1
InChIInChI=1S/C7H4ClFO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChIKeyXUPDMYDJDICHJJ-UHFFFAOYSA-N
MW158.56 g/mol
LogP2.45
Rot. Bonds1

About 4-chlorobenzoyl fluoride

4-chlorobenzoyl fluoride (PubChem CID 11040973) has the molecular formula C7H4ClFO and a molecular weight of 158.56 g/mol. Its IUPAC name is 4-chlorobenzoyl fluoride.

Molecular Properties

Compound Name4-chlorobenzoyl fluoride
PubChem CID11040973
Molecular FormulaC7H4ClFO
Molecular Weight158.56 g/mol
Exact Mass157.99
IUPAC Name4-chlorobenzoyl fluoride
SMILESO=C(F)c1ccc(Cl)cc1
InChIInChI=1S/C7H4ClFO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChIKeyXUPDMYDJDICHJJ-UHFFFAOYSA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.56
LogP ≤ 52.45
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-chlorobenzoyl fluoride?
The IUPAC name of 4-chlorobenzoyl fluoride (CID 11040973) is 4-chlorobenzoyl fluoride.
What is the SMILES notation for 4-chlorobenzoyl fluoride?
The canonical SMILES for 4-chlorobenzoyl fluoride is O=C(F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chlorobenzoyl fluoride?
The InChIKey is XUPDMYDJDICHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H.
What are the key properties of 4-chlorobenzoyl fluoride?
4-chlorobenzoyl fluoride has a molecular weight of 158.56 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzoyl fluoride is sourced from PubChem (CID 11040973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).