3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride

C10H9ClF4O3S — CID 43670366

IUPAC3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H9ClF4O3S/c11-19(16,17)8-3-1-2-7(4-8)5-18-6-10(14,15)9(12)13/h1-4,9H,5-6H2
InChIKeyZQUHKCPCZCQTAB-UHFFFAOYSA-N
MW320.69 g/mol
LogP3.03
Rot. Bonds6

About 3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride

3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride (PubChem CID 43670366) has the molecular formula C10H9ClF4O3S and a molecular weight of 320.69 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride
PubChem CID43670366
Molecular FormulaC10H9ClF4O3S
Molecular Weight320.69 g/mol
Exact Mass319.99
IUPAC Name3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H9ClF4O3S/c11-19(16,17)8-3-1-2-7(4-8)5-18-6-10(14,15)9(12)13/h1-4,9H,5-6H2
InChIKeyZQUHKCPCZCQTAB-UHFFFAOYSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.69
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride (CID 43670366) is 3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(COCC(F)(F)C(F)F)c1.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride?
The InChIKey is ZQUHKCPCZCQTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4O3S/c11-19(16,17)8-3-1-2-7(4-8)5-18-6-10(14,15)9(12)13/h1-4,9H,5-6H2.
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride?
3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride has a molecular weight of 320.69 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride is sourced from PubChem (CID 43670366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).