3,3-difluorocyclobutane-1-sulfonyl chloride

C4H5ClF2O2S — CID 58557426

IUPAC3,3-difluorocyclobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC(F)(F)C1
InChIInChI=1S/C4H5ClF2O2S/c5-10(8,9)3-1-4(6,7)2-3/h3H,1-2H2
InChIKeyQXYNIWCYMQIZBV-UHFFFAOYSA-N
MW190.60 g/mol
LogP1.35
Rot. Bonds1

About 3,3-difluorocyclobutane-1-sulfonyl chloride

3,3-difluorocyclobutane-1-sulfonyl chloride (PubChem CID 58557426) has the molecular formula C4H5ClF2O2S and a molecular weight of 190.60 g/mol. Its IUPAC name is 3,3-difluorocyclobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name3,3-difluorocyclobutane-1-sulfonyl chloride
PubChem CID58557426
Molecular FormulaC4H5ClF2O2S
Molecular Weight190.60 g/mol
Exact Mass189.97
IUPAC Name3,3-difluorocyclobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC(F)(F)C1
InChIInChI=1S/C4H5ClF2O2S/c5-10(8,9)3-1-4(6,7)2-3/h3H,1-2H2
InChIKeyQXYNIWCYMQIZBV-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluorobutane-1-sulfonyl Chloride
CID 2761176
3,3,3-Trifluoropropane-1-sulfonyl chloride
CID 2761177
4,4,5,5,5-Pentafluoropentane-1-sulfonyl chloride
CID 21973190
3,3-Difluoropropane-1-sulfonyl chloride
CID 55263296
3-Fluorocyclobutane-1-sulfonyl chloride
CID 55263297
1,1,1-Trifluoropropane-2-sulfonyl chloride
CID 73994686
2,2-Difluoropropane-1-sulfonyl chloride
CID 84656710
4,4-Difluorobutane-1-sulfonyl chloride
CID 84664402
3,3-Difluorobutane-1-sulfonyl chloride
CID 84664403
(3,3-Difluorocyclobutyl)methanesulfonyl chloride
CID 90355675
2,2-Difluorobutane-1-sulfonyl chloride
CID 105446602
3-(Difluoromethyl)cyclobutane-1-sulfonyl chloride
CID 118868806

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorocyclobutane-1-sulfonyl chloride?
The IUPAC name of 3,3-difluorocyclobutane-1-sulfonyl chloride (CID 58557426) is 3,3-difluorocyclobutane-1-sulfonyl chloride.
What is the SMILES notation for 3,3-difluorocyclobutane-1-sulfonyl chloride?
The canonical SMILES for 3,3-difluorocyclobutane-1-sulfonyl chloride is O=S(=O)(Cl)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluorocyclobutane-1-sulfonyl chloride?
The InChIKey is QXYNIWCYMQIZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClF2O2S/c5-10(8,9)3-1-4(6,7)2-3/h3H,1-2H2.
What are the key properties of 3,3-difluorocyclobutane-1-sulfonyl chloride?
3,3-difluorocyclobutane-1-sulfonyl chloride has a molecular weight of 190.60 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorocyclobutane-1-sulfonyl chloride is sourced from PubChem (CID 58557426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).