3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride

C8H7ClF2O3S — CID 84708898

IUPAC3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride
SMILESCC(F)(F)c1cccc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C8H7ClF2O3S/c1-8(10,11)5-3-2-4-6(7(5)12)15(9,13)14/h2-4,12H,1H3
InChIKeyIBHHMBJSMICZSD-UHFFFAOYSA-N
MW256.66 g/mol
LogP2.43
Rot. Bonds2

About 3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride

3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride (PubChem CID 84708898) has the molecular formula C8H7ClF2O3S and a molecular weight of 256.66 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride
PubChem CID84708898
Molecular FormulaC8H7ClF2O3S
Molecular Weight256.66 g/mol
Exact Mass255.98
IUPAC Name3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride
SMILESCC(F)(F)c1cccc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C8H7ClF2O3S/c1-8(10,11)5-3-2-4-6(7(5)12)15(9,13)14/h2-4,12H,1H3
InChIKeyIBHHMBJSMICZSD-UHFFFAOYSA-N
XLogP2.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride?
The IUPAC name of 3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride (CID 84708898) is 3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride is CC(F)(F)c1cccc(S(=O)(=O)Cl)c1O.
What is the InChIKey of 3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride?
The InChIKey is IBHHMBJSMICZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O3S/c1-8(10,11)5-3-2-4-6(7(5)12)15(9,13)14/h2-4,12H,1H3.
What are the key properties of 3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride?
3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride has a molecular weight of 256.66 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-2-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 84708898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).