3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride

C7H3ClF4O3S — CID 122199045

IUPAC3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(O)ccc(F)c1C(F)(F)F
InChIInChI=1S/C7H3ClF4O3S/c8-16(14,15)6-4(13)2-1-3(9)5(6)7(10,11)12/h1-2,13H
InChIKeyMOCOOKIAPXUKMZ-UHFFFAOYSA-N
MW278.61 g/mol
LogP2.48
Rot. Bonds1

About 3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride

3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 122199045) has the molecular formula C7H3ClF4O3S and a molecular weight of 278.61 g/mol. Its IUPAC name is 3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID122199045
Molecular FormulaC7H3ClF4O3S
Molecular Weight278.61 g/mol
Exact Mass277.94
IUPAC Name3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(O)ccc(F)c1C(F)(F)F
InChIInChI=1S/C7H3ClF4O3S/c8-16(14,15)6-4(13)2-1-3(9)5(6)7(10,11)12/h1-2,13H
InChIKeyMOCOOKIAPXUKMZ-UHFFFAOYSA-N
XLogP2.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.61
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride (CID 122199045) is 3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1c(O)ccc(F)c1C(F)(F)F.
What is the InChIKey of 3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is MOCOOKIAPXUKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF4O3S/c8-16(14,15)6-4(13)2-1-3(9)5(6)7(10,11)12/h1-2,13H.
What are the key properties of 3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride?
3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 278.61 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 122199045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).