2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride

C8H7ClF2O3S — CID 84805405

IUPAC2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1ccc(F)c(F)c1O
InChIInChI=1S/C8H7ClF2O3S/c9-15(13,14)4-3-5-1-2-6(10)7(11)8(5)12/h1-2,12H,3-4H2
InChIKeyHVQFJJOCUXQFLO-UHFFFAOYSA-N
MW256.66 g/mol
LogP1.78
Rot. Bonds3

About 2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride

2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride (PubChem CID 84805405) has the molecular formula C8H7ClF2O3S and a molecular weight of 256.66 g/mol. Its IUPAC name is 2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride
PubChem CID84805405
Molecular FormulaC8H7ClF2O3S
Molecular Weight256.66 g/mol
Exact Mass255.98
IUPAC Name2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1ccc(F)c(F)c1O
InChIInChI=1S/C8H7ClF2O3S/c9-15(13,14)4-3-5-1-2-6(10)7(11)8(5)12/h1-2,12H,3-4H2
InChIKeyHVQFJJOCUXQFLO-UHFFFAOYSA-N
XLogP1.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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7-(2-Hydroxy-phenyl)-heptanesulfonyl fluoride
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7-(4-Hydroxy-phenyl)-heptanesulfonyl fluoride
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7-(3-Hydroxy-phenyl)-heptanesulfonyl fluoride
CID 25017607
(E)-2-(3-hydroxyphenyl)ethenesulfonyl fluoride
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(E)-2-(4-hydroxyphenyl)ethenesulfonyl fluoride
CID 155545682
2-Fluoro-6-(prop-2-en-1-yl)phenol
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CID 23056852
2-(Methanesulfonylmethyl)phenol
CID 54292704
4-Hydroxy-3-(trifluoromethyl)benzene-1-sulfonyl chloride
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(Z)-2-(2-Hydroxyphenyl)ethenesulfinate
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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride (CID 84805405) is 2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride is O=S(=O)(Cl)CCc1ccc(F)c(F)c1O.
What is the InChIKey of 2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride?
The InChIKey is HVQFJJOCUXQFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O3S/c9-15(13,14)4-3-5-1-2-6(10)7(11)8(5)12/h1-2,12H,3-4H2.
What are the key properties of 2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride?
2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride has a molecular weight of 256.66 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-2-hydroxyphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 84805405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).