2-chloro-5-(trifluoromethyl)benzenesulfinic acid

C7H4ClF3O2S — CID 20739303

IUPAC2-chloro-5-(trifluoromethyl)benzenesulfinic acid
SMILESO=S(O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C7H4ClF3O2S/c8-5-2-1-4(7(9,10)11)3-6(5)14(12)13/h1-3H,(H,12,13)
InChIKeyZNCQFFARKISWKB-UHFFFAOYSA-N
MW244.62 g/mol
LogP2.94
Rot. Bonds1

About 2-chloro-5-(trifluoromethyl)benzenesulfinic acid

2-chloro-5-(trifluoromethyl)benzenesulfinic acid (PubChem CID 20739303) has the molecular formula C7H4ClF3O2S and a molecular weight of 244.62 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)benzenesulfinic acid.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)benzenesulfinic acid
PubChem CID20739303
Molecular FormulaC7H4ClF3O2S
Molecular Weight244.62 g/mol
Exact Mass243.96
IUPAC Name2-chloro-5-(trifluoromethyl)benzenesulfinic acid
SMILESO=S(O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C7H4ClF3O2S/c8-5-2-1-4(7(9,10)11)3-6(5)14(12)13/h1-3H,(H,12,13)
InChIKeyZNCQFFARKISWKB-UHFFFAOYSA-N
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.62
LogP ≤ 52.94
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

2-chloro-4-(trifluoromethyl)benzenesulfinic acid
CID 18511588
2-phenyl-4-(trifluoromethyl)benzenesulfinic acid
CID 174890866
CID 53444038
CID 53444038
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride
CID 143805347
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
[2-chloro-5-(trifluoromethyl)benzoyl]-methyl-methylideneazanium
CID 91608727
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
CID 71212803
CID 71212803
4-[2-chloro-5-(trifluoromethyl)phenyl]butan-2-one
CID 82297621
2-bromo-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone
CID 2783183
3-[4-(trifluoromethyl)phenyl]benzenesulfinic acid
CID 59803428
2-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117349702

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethyl)benzenesulfinic acid?
The IUPAC name of 2-chloro-5-(trifluoromethyl)benzenesulfinic acid (CID 20739303) is 2-chloro-5-(trifluoromethyl)benzenesulfinic acid.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)benzenesulfinic acid?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)benzenesulfinic acid is O=S(O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)benzenesulfinic acid?
The InChIKey is ZNCQFFARKISWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O2S/c8-5-2-1-4(7(9,10)11)3-6(5)14(12)13/h1-3H,(H,12,13).
What are the key properties of 2-chloro-5-(trifluoromethyl)benzenesulfinic acid?
2-chloro-5-(trifluoromethyl)benzenesulfinic acid has a molecular weight of 244.62 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethyl)benzenesulfinic acid is sourced from PubChem (CID 20739303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).