3,3-difluorocyclobutane-1-sulfonyl fluoride

C4H5F3O2S — CID 155982338

IUPAC3,3-difluorocyclobutane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C1CC(F)(F)C1
InChIInChI=1S/C4H5F3O2S/c5-4(6)1-3(2-4)10(7,8)9/h3H,1-2H2
InChIKeyRXMXJISICNGRAY-UHFFFAOYSA-N
MW174.14 g/mol
LogP1.08
Rot. Bonds1

About 3,3-difluorocyclobutane-1-sulfonyl fluoride

3,3-difluorocyclobutane-1-sulfonyl fluoride (PubChem CID 155982338) has the molecular formula C4H5F3O2S and a molecular weight of 174.14 g/mol. Its IUPAC name is 3,3-difluorocyclobutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3,3-difluorocyclobutane-1-sulfonyl fluoride
PubChem CID155982338
Molecular FormulaC4H5F3O2S
Molecular Weight174.14 g/mol
Exact Mass174.00
IUPAC Name3,3-difluorocyclobutane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C1CC(F)(F)C1
InChIInChI=1S/C4H5F3O2S/c5-4(6)1-3(2-4)10(7,8)9/h3H,1-2H2
InChIKeyRXMXJISICNGRAY-UHFFFAOYSA-N
XLogP1.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Butanesulfonyl fluoride, 4-fluoro-
CID 12616
3,3-Difluorocyclobutane-1-sulfonyl chloride
CID 58557426
4,4,4-trifluorobutane-1-sulfonyl Chloride
CID 2761176
3-Fluorocyclobutane-1-sulfonyl chloride
CID 55263297
4,4-Difluorobutane-1-sulfonyl chloride
CID 84664402
3,3-Difluorocyclobutane-1-sulfonamide
CID 126756816
3,3,3-Trifluoropropylmethanesulfonate
CID 22253502
4,4,4-Trifluorobutane-2-sulfonate
CID 22253508
Cyclobutanesulfonyl fluoride
CID 22935863
3,3,3-Trifluoropropane-1-sulfonyl fluoride
CID 56604609
2,2,4,4,4-Pentafluorobutane-1-sulfonate
CID 58070654
2,2-Difluorobutane-1-sulfonate
CID 58283371

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorocyclobutane-1-sulfonyl fluoride?
The IUPAC name of 3,3-difluorocyclobutane-1-sulfonyl fluoride (CID 155982338) is 3,3-difluorocyclobutane-1-sulfonyl fluoride.
What is the SMILES notation for 3,3-difluorocyclobutane-1-sulfonyl fluoride?
The canonical SMILES for 3,3-difluorocyclobutane-1-sulfonyl fluoride is O=S(=O)(F)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluorocyclobutane-1-sulfonyl fluoride?
The InChIKey is RXMXJISICNGRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O2S/c5-4(6)1-3(2-4)10(7,8)9/h3H,1-2H2.
What are the key properties of 3,3-difluorocyclobutane-1-sulfonyl fluoride?
3,3-difluorocyclobutane-1-sulfonyl fluoride has a molecular weight of 174.14 g/mol, XLogP of 1.08, 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 fluoride is sourced from PubChem (CID 155982338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).