cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride

C4H6F2O2S — CID 165453620

IUPACcis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride
SMILESO=S(=O)(F)[C@H]1CC[C@H]1F
InChIInChI=1S/C4H6F2O2S/c5-3-1-2-4(3)9(6,7)8/h3-4H,1-2H2/t3-,4+/m1/s1
InChIKeyMJHBJTIRAWKAQZ-DMTCNVIQSA-N
MW156.15 g/mol
LogP0.79
Rot. Bonds1

About cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride

cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride (PubChem CID 165453620) has the molecular formula C4H6F2O2S and a molecular weight of 156.15 g/mol. Its IUPAC name is cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride.

Molecular Properties

Compound Namecis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride
PubChem CID165453620
Molecular FormulaC4H6F2O2S
Molecular Weight156.15 g/mol
Exact Mass156.01
IUPAC Namecis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride
SMILESO=S(=O)(F)[C@H]1CC[C@H]1F
InChIInChI=1S/C4H6F2O2S/c5-3-1-2-4(3)9(6,7)8/h3-4H,1-2H2/t3-,4+/m1/s1
InChIKeyMJHBJTIRAWKAQZ-DMTCNVIQSA-N
XLogP0.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Propanesulfonyl fluoride, 3-fluoro-
CID 68033
Butanesulfonyl fluoride, 4-fluoro-
CID 12616
Pentanesulfonyl fluoride, 5-fluoro-
CID 67797
3,3-Difluorocyclobutane-1-sulfonyl chloride
CID 58557426
3-Fluorocyclobutane-1-sulfonyl chloride
CID 55263297
Cyclobutanesulfonyl fluoride
CID 22935863
3,3-Difluorocyclobutane-1-sulfonate
CID 58557884
3,3-Difluorocyclobutane-1-sulfonic acid
CID 58557885
Potassium 3,3-difluorocyclobutane-1-sulfonate
CID 86660435
2,3-Difluorocyclobutane-1-sulfonyl chloride
CID 87313727
1-Fluorobutane-1,4-disulfonyl fluoride
CID 88180877
3,3-Difluorocyclobutane-1-sulfinate
CID 117899710

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride?
The IUPAC name of cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride (CID 165453620) is cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride.
What is the SMILES notation for cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride?
The canonical SMILES for cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride is O=S(=O)(F)[C@H]1CC[C@H]1F.
What is the InChIKey of cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride?
The InChIKey is MJHBJTIRAWKAQZ-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H6F2O2S/c5-3-1-2-4(3)9(6,7)8/h3-4H,1-2H2/t3-,4+/m1/s1.
What are the key properties of cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride?
cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride has a molecular weight of 156.15 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl fluoride is sourced from PubChem (CID 165453620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).