2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride

C9H4ClF5O3S — CID 167079776

IUPAC2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride
SMILESC=CC(F)Oc1c(F)c(F)c(F)c(F)c1S(=O)(=O)Cl
InChIInChI=1S/C9H4ClF5O3S/c1-2-3(11)18-8-6(14)4(12)5(13)7(15)9(8)19(10,16)17/h2-3H,1H2
InChIKeyZYYOEPOQNAHMGZ-UHFFFAOYSA-N
MW322.64 g/mol
LogP3.03
Rot. Bonds4

About 2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride

2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride (PubChem CID 167079776) has the molecular formula C9H4ClF5O3S and a molecular weight of 322.64 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride
PubChem CID167079776
Molecular FormulaC9H4ClF5O3S
Molecular Weight322.64 g/mol
Exact Mass321.95
IUPAC Name2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride
SMILESC=CC(F)Oc1c(F)c(F)c(F)c(F)c1S(=O)(=O)Cl
InChIInChI=1S/C9H4ClF5O3S/c1-2-3(11)18-8-6(14)4(12)5(13)7(15)9(8)19(10,16)17/h2-3H,1H2
InChIKeyZYYOEPOQNAHMGZ-UHFFFAOYSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.64
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride?
The IUPAC name of 2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride (CID 167079776) is 2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride is C=CC(F)Oc1c(F)c(F)c(F)c(F)c1S(=O)(=O)Cl.
What is the InChIKey of 2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride?
The InChIKey is ZYYOEPOQNAHMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF5O3S/c1-2-3(11)18-8-6(14)4(12)5(13)7(15)9(8)19(10,16)17/h2-3H,1H2.
What are the key properties of 2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride?
2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride has a molecular weight of 322.64 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride is sourced from PubChem (CID 167079776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).