2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride

C8Cl2F4O2 — CID 18764629

IUPAC2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1c(F)c(F)c(F)c(C(=O)Cl)c1F
InChIInChI=1S/C8Cl2F4O2/c9-7(15)1-3(11)2(8(10)16)5(13)6(14)4(1)12
InChIKeyKKENYPMBRJYGTH-UHFFFAOYSA-N
MW274.98 g/mol
LogP3.00
Rot. Bonds2

About 2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride

2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride (PubChem CID 18764629) has the molecular formula C8Cl2F4O2 and a molecular weight of 274.98 g/mol. Its IUPAC name is 2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride.

Molecular Properties

Compound Name2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride
PubChem CID18764629
Molecular FormulaC8Cl2F4O2
Molecular Weight274.98 g/mol
Exact Mass273.92
IUPAC Name2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1c(F)c(F)c(F)c(C(=O)Cl)c1F
InChIInChI=1S/C8Cl2F4O2/c9-7(15)1-3(11)2(8(10)16)5(13)6(14)4(1)12
InChIKeyKKENYPMBRJYGTH-UHFFFAOYSA-N
XLogP3.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.98
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Pentafluorobenzoyl chloride
CID 75256
3-Fluoro-5-(trifluoromethyl)benzoyl chloride
CID 519364
4-Chloro-2,3,5,6-tetrafluorobenzoyl chloride
CID 2783250
Perfluoro(4-toluoyl) chloride
CID 15134994
3,4,5,6-Tetrafluorophthaloyl chloride
CID 10636092
2-Fluorobenzene-1,3-dicarbonyl dichloride
CID 13219568
2,3,5,6-Tetrafluorobenzene-1,4-dicarbonyl dichloride
CID 13255340
2-Chlorotetrafluorobenzoyl chloride
CID 129758722
3-Chloro-2,4,5,6-tetrafluorobenzoyl chloride
CID 2783249
2,3,4,6-Tetrafluoro-5-(trifluoromethyl)benzoyl fluoride
CID 15134993
2,3,4,6-Tetrafluoro-5-(trifluoromethyl)benzoyl chloride
CID 15134995
2,4,6-Triiodobenzene-1,3,5-tricarbonyl trichloride
CID 12940477

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride?
The IUPAC name of 2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride (CID 18764629) is 2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride.
What is the SMILES notation for 2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride?
The canonical SMILES for 2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride is O=C(Cl)c1c(F)c(F)c(F)c(C(=O)Cl)c1F.
What is the InChIKey of 2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride?
The InChIKey is KKENYPMBRJYGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl2F4O2/c9-7(15)1-3(11)2(8(10)16)5(13)6(14)4(1)12.
What are the key properties of 2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride?
2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride has a molecular weight of 274.98 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride is sourced from PubChem (CID 18764629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).