4-chloro-3-fluorobenzenesulfinic acid

C6H4ClFO2S — CID 67275217

IUPAC4-chloro-3-fluorobenzenesulfinic acid
SMILESO=S(O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C6H4ClFO2S/c7-5-2-1-4(11(9)10)3-6(5)8/h1-3H,(H,9,10)
InChIKeyDAIPLRUEKICPOC-UHFFFAOYSA-N
MW194.61 g/mol
LogP2.06
Rot. Bonds1

About 4-chloro-3-fluorobenzenesulfinic acid

4-chloro-3-fluorobenzenesulfinic acid (PubChem CID 67275217) has the molecular formula C6H4ClFO2S and a molecular weight of 194.61 g/mol. Its IUPAC name is 4-chloro-3-fluorobenzenesulfinic acid.

Molecular Properties

Compound Name4-chloro-3-fluorobenzenesulfinic acid
PubChem CID67275217
Molecular FormulaC6H4ClFO2S
Molecular Weight194.61 g/mol
Exact Mass193.96
IUPAC Name4-chloro-3-fluorobenzenesulfinic acid
SMILESO=S(O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C6H4ClFO2S/c7-5-2-1-4(11(9)10)3-6(5)8/h1-3H,(H,9,10)
InChIKeyDAIPLRUEKICPOC-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.61
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-hydroxybenzenesulfinic acid
CID 143950951
4-amino-3-fluorobenzenesulfinic acid
CID 57017127
3-fluoro-4-(trifluoromethoxy)benzenesulfinic acid
CID 67274601
(4-chloro-3-fluorophenyl)methyl hydrogen sulfite
CID 174745744
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
4-fluoro-3-propan-2-ylbenzenesulfinic acid
CID 126565950
4-fluoro-3-methoxybenzenesulfinic acid
CID 58229289
3-(3-chloro-4-fluorophenyl)-5-hydroxybenzenesulfinic acid
CID 70969449
sodium;4-chloro-3-nitrobenzenesulfinic acid;hydride
CID 173077568
4-chloro-3-fluorobenzoic acid
CID 2736536
1,4-dichloroisoquinoline-7-sulfinic acid
CID 54429071
3-fluoro-4-imidazol-1-ylbenzenesulfinic acid
CID 68530217

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluorobenzenesulfinic acid?
The IUPAC name of 4-chloro-3-fluorobenzenesulfinic acid (CID 67275217) is 4-chloro-3-fluorobenzenesulfinic acid.
What is the SMILES notation for 4-chloro-3-fluorobenzenesulfinic acid?
The canonical SMILES for 4-chloro-3-fluorobenzenesulfinic acid is O=S(O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluorobenzenesulfinic acid?
The InChIKey is DAIPLRUEKICPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFO2S/c7-5-2-1-4(11(9)10)3-6(5)8/h1-3H,(H,9,10).
What are the key properties of 4-chloro-3-fluorobenzenesulfinic acid?
4-chloro-3-fluorobenzenesulfinic acid has a molecular weight of 194.61 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluorobenzenesulfinic acid is sourced from PubChem (CID 67275217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).