1,1-difluoro-2-hydroxyethanesulfonyl chloride

C2H3ClF2O3S — CID 58288757

IUPAC1,1-difluoro-2-hydroxyethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)CO
InChIInChI=1S/C2H3ClF2O3S/c3-9(7,8)2(4,5)1-6/h6H,1H2
InChIKeyBOUHBSKMADOBHM-UHFFFAOYSA-N
MW180.56 g/mol
LogP0.14
Rot. Bonds2

About 1,1-difluoro-2-hydroxyethanesulfonyl chloride

1,1-difluoro-2-hydroxyethanesulfonyl chloride (PubChem CID 58288757) has the molecular formula C2H3ClF2O3S and a molecular weight of 180.56 g/mol. Its IUPAC name is 1,1-difluoro-2-hydroxyethanesulfonyl chloride.

Molecular Properties

Compound Name1,1-difluoro-2-hydroxyethanesulfonyl chloride
PubChem CID58288757
Molecular FormulaC2H3ClF2O3S
Molecular Weight180.56 g/mol
Exact Mass179.95
IUPAC Name1,1-difluoro-2-hydroxyethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)CO
InChIInChI=1S/C2H3ClF2O3S/c3-9(7,8)2(4,5)1-6/h6H,1H2
InChIKeyBOUHBSKMADOBHM-UHFFFAOYSA-N
XLogP0.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.56
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-hydroxyethanesulfonyl chloride?
The IUPAC name of 1,1-difluoro-2-hydroxyethanesulfonyl chloride (CID 58288757) is 1,1-difluoro-2-hydroxyethanesulfonyl chloride.
What is the SMILES notation for 1,1-difluoro-2-hydroxyethanesulfonyl chloride?
The canonical SMILES for 1,1-difluoro-2-hydroxyethanesulfonyl chloride is O=S(=O)(Cl)C(F)(F)CO.
What is the InChIKey of 1,1-difluoro-2-hydroxyethanesulfonyl chloride?
The InChIKey is BOUHBSKMADOBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClF2O3S/c3-9(7,8)2(4,5)1-6/h6H,1H2.
What are the key properties of 1,1-difluoro-2-hydroxyethanesulfonyl chloride?
1,1-difluoro-2-hydroxyethanesulfonyl chloride has a molecular weight of 180.56 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-hydroxyethanesulfonyl chloride is sourced from PubChem (CID 58288757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).