2-fluorobenzene-1,3-dicarbonyl chloride

C8H3Cl2FO2 — CID 13219568

IUPAC2-fluorobenzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1cccc(C(=O)Cl)c1F
InChIInChI=1S/C8H3Cl2FO2/c9-7(12)4-2-1-3-5(6(4)11)8(10)13/h1-3H
InChIKeyMBAPJWWYNFVSDA-UHFFFAOYSA-N
MW221.01 g/mol
LogP2.58
Rot. Bonds2

About 2-fluorobenzene-1,3-dicarbonyl chloride

2-fluorobenzene-1,3-dicarbonyl chloride (PubChem CID 13219568) has the molecular formula C8H3Cl2FO2 and a molecular weight of 221.01 g/mol. Its IUPAC name is 2-fluorobenzene-1,3-dicarbonyl chloride.

Molecular Properties

Compound Name2-fluorobenzene-1,3-dicarbonyl chloride
PubChem CID13219568
Molecular FormulaC8H3Cl2FO2
Molecular Weight221.01 g/mol
Exact Mass219.95
IUPAC Name2-fluorobenzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1cccc(C(=O)Cl)c1F
InChIInChI=1S/C8H3Cl2FO2/c9-7(12)4-2-1-3-5(6(4)11)8(10)13/h1-3H
InChIKeyMBAPJWWYNFVSDA-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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Frequently Asked Questions

What is the IUPAC name of 2-fluorobenzene-1,3-dicarbonyl chloride?
The IUPAC name of 2-fluorobenzene-1,3-dicarbonyl chloride (CID 13219568) is 2-fluorobenzene-1,3-dicarbonyl chloride.
What is the SMILES notation for 2-fluorobenzene-1,3-dicarbonyl chloride?
The canonical SMILES for 2-fluorobenzene-1,3-dicarbonyl chloride is O=C(Cl)c1cccc(C(=O)Cl)c1F.
What is the InChIKey of 2-fluorobenzene-1,3-dicarbonyl chloride?
The InChIKey is MBAPJWWYNFVSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FO2/c9-7(12)4-2-1-3-5(6(4)11)8(10)13/h1-3H.
What are the key properties of 2-fluorobenzene-1,3-dicarbonyl chloride?
2-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 2-fluorobenzene-1,3-dicarbonyl chloride is sourced from PubChem (CID 13219568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).