2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride

C5H7ClF2O2S — CID 122163794

IUPAC2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1CC1(F)F
InChIInChI=1S/C5H7ClF2O2S/c6-11(9,10)2-1-4-3-5(4,7)8/h4H,1-3H2
InChIKeyVASICXQHFFQDNC-UHFFFAOYSA-N
MW204.62 g/mol
LogP1.60
Rot. Bonds3

About 2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride

2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride (PubChem CID 122163794) has the molecular formula C5H7ClF2O2S and a molecular weight of 204.62 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride
PubChem CID122163794
Molecular FormulaC5H7ClF2O2S
Molecular Weight204.62 g/mol
Exact Mass203.98
IUPAC Name2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1CC1(F)F
InChIInChI=1S/C5H7ClF2O2S/c6-11(9,10)2-1-4-3-5(4,7)8/h4H,1-3H2
InChIKeyVASICXQHFFQDNC-UHFFFAOYSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride?
The IUPAC name of 2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride (CID 122163794) is 2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride is O=S(=O)(Cl)CCC1CC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride?
The InChIKey is VASICXQHFFQDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF2O2S/c6-11(9,10)2-1-4-3-5(4,7)8/h4H,1-3H2.
What are the key properties of 2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride?
2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride has a molecular weight of 204.62 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride is sourced from PubChem (CID 122163794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).