3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride

C8H5ClF4O2S — CID 84730280

IUPAC3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C(F)C(F)(F)F)c1
InChIInChI=1S/C8H5ClF4O2S/c9-16(14,15)6-3-1-2-5(4-6)7(10)8(11,12)13/h1-4,7H
InChIKeyWLFFLLNQKYXQJO-UHFFFAOYSA-N
MW276.64 g/mol
LogP3.19
Rot. Bonds2

About 3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride

3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride (PubChem CID 84730280) has the molecular formula C8H5ClF4O2S and a molecular weight of 276.64 g/mol. Its IUPAC name is 3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride
PubChem CID84730280
Molecular FormulaC8H5ClF4O2S
Molecular Weight276.64 g/mol
Exact Mass275.96
IUPAC Name3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C(F)C(F)(F)F)c1
InChIInChI=1S/C8H5ClF4O2S/c9-16(14,15)6-3-1-2-5(4-6)7(10)8(11,12)13/h1-4,7H
InChIKeyWLFFLLNQKYXQJO-UHFFFAOYSA-N
XLogP3.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.64
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride?
The IUPAC name of 3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride (CID 84730280) is 3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(C(F)C(F)(F)F)c1.
What is the InChIKey of 3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride?
The InChIKey is WLFFLLNQKYXQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF4O2S/c9-16(14,15)6-3-1-2-5(4-6)7(10)8(11,12)13/h1-4,7H.
What are the key properties of 3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride?
3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride has a molecular weight of 276.64 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride is sourced from PubChem (CID 84730280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).