3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride

C8H8ClFO3S — CID 84700850

IUPAC3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(CF)cccc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO3S/c1-13-8-6(5-10)3-2-4-7(8)14(9,11)12/h2-4H,5H2,1H3
InChIKeyNFLWHNOOPZTWJK-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.09
Rot. Bonds3

About 3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride

3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride (PubChem CID 84700850) has the molecular formula C8H8ClFO3S and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride
PubChem CID84700850
Molecular FormulaC8H8ClFO3S
Molecular Weight238.67 g/mol
Exact Mass237.99
IUPAC Name3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1c(CF)cccc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClFO3S/c1-13-8-6(5-10)3-2-4-7(8)14(9,11)12/h2-4H,5H2,1H3
InChIKeyNFLWHNOOPZTWJK-UHFFFAOYSA-N
XLogP2.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride (CID 84700850) is 3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride is COc1c(CF)cccc1S(=O)(=O)Cl.
What is the InChIKey of 3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride?
The InChIKey is NFLWHNOOPZTWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO3S/c1-13-8-6(5-10)3-2-4-7(8)14(9,11)12/h2-4H,5H2,1H3.
What are the key properties of 3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride?
3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride has a molecular weight of 238.67 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 84700850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).