4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride

C8H3Cl2F3O2 — CID 14461275

IUPAC4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride
SMILESO=C(F)c1ccc(Cl)c(OC(F)(F)Cl)c1
InChIInChI=1S/C8H3Cl2F3O2/c9-5-2-1-4(7(11)14)3-6(5)15-8(10,12)13/h1-3H
InChIKeyQWFWHUAQZBRMBZ-UHFFFAOYSA-N
MW259.01 g/mol
LogP3.62
Rot. Bonds3

About 4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride

4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride (PubChem CID 14461275) has the molecular formula C8H3Cl2F3O2 and a molecular weight of 259.01 g/mol. Its IUPAC name is 4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride.

Molecular Properties

Compound Name4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride
PubChem CID14461275
Molecular FormulaC8H3Cl2F3O2
Molecular Weight259.01 g/mol
Exact Mass257.95
IUPAC Name4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride
SMILESO=C(F)c1ccc(Cl)c(OC(F)(F)Cl)c1
InChIInChI=1S/C8H3Cl2F3O2/c9-5-2-1-4(7(11)14)3-6(5)15-8(10,12)13/h1-3H
InChIKeyQWFWHUAQZBRMBZ-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.01
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride?
The IUPAC name of 4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride (CID 14461275) is 4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride.
What is the SMILES notation for 4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride?
The canonical SMILES for 4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride is O=C(F)c1ccc(Cl)c(OC(F)(F)Cl)c1.
What is the InChIKey of 4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride?
The InChIKey is QWFWHUAQZBRMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F3O2/c9-5-2-1-4(7(11)14)3-6(5)15-8(10,12)13/h1-3H.
What are the key properties of 4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride?
4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride has a molecular weight of 259.01 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[chloro(difluoro)methoxy]benzoyl fluoride is sourced from PubChem (CID 14461275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).