4-fluorobenzene-1,3-dicarbonyl chloride

C8H3Cl2FO2 — CID 21419886

IUPAC4-fluorobenzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(F)c(C(=O)Cl)c1
InChIInChI=1S/C8H3Cl2FO2/c9-7(12)4-1-2-6(11)5(3-4)8(10)13/h1-3H
InChIKeyFZQOFIVDXNZKTJ-UHFFFAOYSA-N
MW221.01 g/mol
LogP2.58
Rot. Bonds2

About 4-fluorobenzene-1,3-dicarbonyl chloride

4-fluorobenzene-1,3-dicarbonyl chloride (PubChem CID 21419886) has the molecular formula C8H3Cl2FO2 and a molecular weight of 221.01 g/mol. Its IUPAC name is 4-fluorobenzene-1,3-dicarbonyl chloride.

Molecular Properties

Compound Name4-fluorobenzene-1,3-dicarbonyl chloride
PubChem CID21419886
Molecular FormulaC8H3Cl2FO2
Molecular Weight221.01 g/mol
Exact Mass219.95
IUPAC Name4-fluorobenzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(F)c(C(=O)Cl)c1
InChIInChI=1S/C8H3Cl2FO2/c9-7(12)4-1-2-6(11)5(3-4)8(10)13/h1-3H
InChIKeyFZQOFIVDXNZKTJ-UHFFFAOYSA-N
XLogP2.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.01
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-fluorobenzoyl chloride
CID 2773604
ethane;2-fluoro-5-methylbenzoyl chloride
CID 143991429
4-bromobenzene-1,3-dicarbonyl chloride
CID 13040870
2-fluoro-5-(4-fluorophenyl)benzoyl chloride
CID 46312387
4-carbonochloridoylphthalic acid
CID 15105982
2-fluorobenzoyl chloride
CID 9808
3-(2,5-dichlorophenyl)-4-fluorobenzoyl chloride
CID 134618190
2-bromobenzene-1,4-dicarbonyl chloride
CID 13431541
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709
methyl 2,5-dicarbonochloridoylbenzoate
CID 54490915
2-fluorobenzoyl chloride;hydrochloride
CID 172728813
5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride
CID 118806458

Frequently Asked Questions

What is the IUPAC name of 4-fluorobenzene-1,3-dicarbonyl chloride?
The IUPAC name of 4-fluorobenzene-1,3-dicarbonyl chloride (CID 21419886) is 4-fluorobenzene-1,3-dicarbonyl chloride.
What is the SMILES notation for 4-fluorobenzene-1,3-dicarbonyl chloride?
The canonical SMILES for 4-fluorobenzene-1,3-dicarbonyl chloride is O=C(Cl)c1ccc(F)c(C(=O)Cl)c1.
What is the InChIKey of 4-fluorobenzene-1,3-dicarbonyl chloride?
The InChIKey is FZQOFIVDXNZKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FO2/c9-7(12)4-1-2-6(11)5(3-4)8(10)13/h1-3H.
What are the key properties of 4-fluorobenzene-1,3-dicarbonyl chloride?
4-fluorobenzene-1,3-dicarbonyl chloride has a molecular weight of 221.01 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobenzene-1,3-dicarbonyl chloride is sourced from PubChem (CID 21419886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).