4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride

C7H3ClF4O2S — CID 2737548

IUPAC4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C7H3ClF4O2S/c8-15(13,14)6-2-1-4(9)3-5(6)7(10,11)12/h1-3H
InChIKeyIGMYEVQPXWKFQF-UHFFFAOYSA-N
MW262.61 g/mol
LogP2.77
Rot. Bonds1

About 4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride

4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 2737548) has the molecular formula C7H3ClF4O2S and a molecular weight of 262.61 g/mol. Its IUPAC name is 4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID2737548
Molecular FormulaC7H3ClF4O2S
Molecular Weight262.61 g/mol
Exact Mass261.95
IUPAC Name4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C7H3ClF4O2S/c8-15(13,14)6-2-1-4(9)3-5(6)7(10,11)12/h1-3H
InChIKeyIGMYEVQPXWKFQF-UHFFFAOYSA-N
XLogP2.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.61
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride (CID 2737548) is 4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is IGMYEVQPXWKFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF4O2S/c8-15(13,14)6-2-1-4(9)3-5(6)7(10,11)12/h1-3H.
What are the key properties of 4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride?
4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 262.61 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 2737548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).