2,3-difluorocyclobutane-1-sulfonyl chloride

C4H5ClF2O2S — CID 87313727

IUPAC2,3-difluorocyclobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC(F)C1F
InChIInChI=1S/C4H5ClF2O2S/c5-10(8,9)3-1-2(6)4(3)7/h2-4H,1H2
InChIKeyNXBOBIJMXSBRKE-UHFFFAOYSA-N
MW190.60 g/mol
LogP1.00
Rot. Bonds1

About 2,3-difluorocyclobutane-1-sulfonyl chloride

2,3-difluorocyclobutane-1-sulfonyl chloride (PubChem CID 87313727) has the molecular formula C4H5ClF2O2S and a molecular weight of 190.60 g/mol. Its IUPAC name is 2,3-difluorocyclobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name2,3-difluorocyclobutane-1-sulfonyl chloride
PubChem CID87313727
Molecular FormulaC4H5ClF2O2S
Molecular Weight190.60 g/mol
Exact Mass189.97
IUPAC Name2,3-difluorocyclobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC(F)C1F
InChIInChI=1S/C4H5ClF2O2S/c5-10(8,9)3-1-2(6)4(3)7/h2-4H,1H2
InChIKeyNXBOBIJMXSBRKE-UHFFFAOYSA-N
XLogP1.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluorocyclobutane-1-sulfonyl chloride?
The IUPAC name of 2,3-difluorocyclobutane-1-sulfonyl chloride (CID 87313727) is 2,3-difluorocyclobutane-1-sulfonyl chloride.
What is the SMILES notation for 2,3-difluorocyclobutane-1-sulfonyl chloride?
The canonical SMILES for 2,3-difluorocyclobutane-1-sulfonyl chloride is O=S(=O)(Cl)C1CC(F)C1F.
What is the InChIKey of 2,3-difluorocyclobutane-1-sulfonyl chloride?
The InChIKey is NXBOBIJMXSBRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClF2O2S/c5-10(8,9)3-1-2(6)4(3)7/h2-4H,1H2.
What are the key properties of 2,3-difluorocyclobutane-1-sulfonyl chloride?
2,3-difluorocyclobutane-1-sulfonyl chloride has a molecular weight of 190.60 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluorocyclobutane-1-sulfonyl chloride is sourced from PubChem (CID 87313727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).