2,3,5,6-tetrafluorobenzoic acid

C7H2F4O2 — CID 567533

IUPAC2,3,5,6-tetrafluorobenzoic acid
SMILESO=C(O)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)
InChIKeyKVLBXIOFJUWSJQ-UHFFFAOYSA-N
MW194.08 g/mol
LogP1.94
Rot. Bonds1

About 2,3,5,6-tetrafluorobenzoic acid

2,3,5,6-tetrafluorobenzoic acid (PubChem CID 567533) has the molecular formula C7H2F4O2 and a molecular weight of 194.08 g/mol. Its IUPAC name is 2,3,5,6-tetrafluorobenzoic acid.

Molecular Properties

Compound Name2,3,5,6-tetrafluorobenzoic acid
PubChem CID567533
Molecular FormulaC7H2F4O2
Molecular Weight194.08 g/mol
Exact Mass194.00
IUPAC Name2,3,5,6-tetrafluorobenzoic acid
SMILESO=C(O)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)
InChIKeyKVLBXIOFJUWSJQ-UHFFFAOYSA-N
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.08
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluorobenzoic acid?
The IUPAC name of 2,3,5,6-tetrafluorobenzoic acid (CID 567533) is 2,3,5,6-tetrafluorobenzoic acid.
What is the SMILES notation for 2,3,5,6-tetrafluorobenzoic acid?
The canonical SMILES for 2,3,5,6-tetrafluorobenzoic acid is O=C(O)c1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluorobenzoic acid?
The InChIKey is KVLBXIOFJUWSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13).
What are the key properties of 2,3,5,6-tetrafluorobenzoic acid?
2,3,5,6-tetrafluorobenzoic acid has a molecular weight of 194.08 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluorobenzoic acid is sourced from PubChem (CID 567533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).