2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride

C8H6Cl2F2O2S — CID 58677275

IUPAC2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C8H6Cl2F2O2S/c9-7-3-1-6(2-4-7)8(11,12)5-15(10,13)14/h1-4H,5H2
InChIKeyHCUADDLWQRWZRH-UHFFFAOYSA-N
MW275.10 g/mol
LogP3.00
Rot. Bonds3

About 2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride

2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride (PubChem CID 58677275) has the molecular formula C8H6Cl2F2O2S and a molecular weight of 275.10 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride
PubChem CID58677275
Molecular FormulaC8H6Cl2F2O2S
Molecular Weight275.10 g/mol
Exact Mass273.94
IUPAC Name2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C8H6Cl2F2O2S/c9-7-3-1-6(2-4-7)8(11,12)5-15(10,13)14/h1-4H,5H2
InChIKeyHCUADDLWQRWZRH-UHFFFAOYSA-N
XLogP3.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride?
The IUPAC name of 2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride (CID 58677275) is 2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride?
The canonical SMILES for 2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride is O=S(=O)(Cl)CC(F)(F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride?
The InChIKey is HCUADDLWQRWZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F2O2S/c9-7-3-1-6(2-4-7)8(11,12)5-15(10,13)14/h1-4H,5H2.
What are the key properties of 2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride?
2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride has a molecular weight of 275.10 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2,2-difluoroethanesulfonyl chloride is sourced from PubChem (CID 58677275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).