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

C8Cl2F4O2 — CID 10636092

IUPAC3,4,5,6-tetrafluorobenzene-1,2-dicarbonyl chloride
SMILESO=C(Cl)c1c(F)c(F)c(F)c(F)c1C(=O)Cl
InChIInChI=1S/C8Cl2F4O2/c9-7(15)1-2(8(10)16)4(12)6(14)5(13)3(1)11
InChIKeySDRKNKXIESFYFG-UHFFFAOYSA-N
MW274.98 g/mol
LogP3.00
Rot. Bonds2

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

3,4,5,6-tetrafluorobenzene-1,2-dicarbonyl chloride (PubChem CID 10636092) has the molecular formula C8Cl2F4O2 and a molecular weight of 274.98 g/mol. Its IUPAC name is 3,4,5,6-tetrafluorobenzene-1,2-dicarbonyl chloride.

Molecular Properties

Compound Name3,4,5,6-tetrafluorobenzene-1,2-dicarbonyl chloride
PubChem CID10636092
Molecular FormulaC8Cl2F4O2
Molecular Weight274.98 g/mol
Exact Mass273.92
IUPAC Name3,4,5,6-tetrafluorobenzene-1,2-dicarbonyl chloride
SMILESO=C(Cl)c1c(F)c(F)c(F)c(F)c1C(=O)Cl
InChIInChI=1S/C8Cl2F4O2/c9-7(15)1-2(8(10)16)4(12)6(14)5(13)3(1)11
InChIKeySDRKNKXIESFYFG-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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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrafluorobenzene-1,2-dicarbonyl chloride?
The IUPAC name of 3,4,5,6-tetrafluorobenzene-1,2-dicarbonyl chloride (CID 10636092) is 3,4,5,6-tetrafluorobenzene-1,2-dicarbonyl chloride.
What is the SMILES notation for 3,4,5,6-tetrafluorobenzene-1,2-dicarbonyl chloride?
The canonical SMILES for 3,4,5,6-tetrafluorobenzene-1,2-dicarbonyl chloride is O=C(Cl)c1c(F)c(F)c(F)c(F)c1C(=O)Cl.
What is the InChIKey of 3,4,5,6-tetrafluorobenzene-1,2-dicarbonyl chloride?
The InChIKey is SDRKNKXIESFYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl2F4O2/c9-7(15)1-2(8(10)16)4(12)6(14)5(13)3(1)11.
What are the key properties of 3,4,5,6-tetrafluorobenzene-1,2-dicarbonyl chloride?
3,4,5,6-tetrafluorobenzene-1,2-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 3,4,5,6-tetrafluorobenzene-1,2-dicarbonyl chloride is sourced from PubChem (CID 10636092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).