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

C4H6ClFO2S — CID 122163500

IUPACcis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@H]1CC[C@H]1F
InChIInChI=1S/C4H6ClFO2S/c5-9(7,8)4-2-1-3(4)6/h3-4H,1-2H2/t3-,4+/m1/s1
InChIKeyMBCWYXRUYHCUIL-DMTCNVIQSA-N
MW172.61 g/mol
LogP1.06
Rot. Bonds1

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

cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl chloride (PubChem CID 122163500) has the molecular formula C4H6ClFO2S and a molecular weight of 172.61 g/mol. Its IUPAC name is cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl chloride.

Molecular Properties

Compound Namecis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl chloride
PubChem CID122163500
Molecular FormulaC4H6ClFO2S
Molecular Weight172.61 g/mol
Exact Mass171.98
IUPAC Namecis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@H]1CC[C@H]1F
InChIInChI=1S/C4H6ClFO2S/c5-9(7,8)4-2-1-3(4)6/h3-4H,1-2H2/t3-,4+/m1/s1
InChIKeyMBCWYXRUYHCUIL-DMTCNVIQSA-N
XLogP1.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Butanesulfonyl chloride, 4-fluoro-
CID 9739
3,3-Difluorocyclobutane-1-sulfonyl chloride
CID 58557426
(1-Fluorocyclobutyl)methanesulfonyl chloride
CID 119031264
3-Fluoropropane-1-sulfonyl chloride
CID 21114841
Cyclobutanesulfonyl chloride
CID 22636930
3-Fluorocyclobutane-1-sulfonyl chloride
CID 55263297
Cyclobutanesulfonyl fluoride
CID 22935863
3,3-Difluorocyclobutane-1-sulfonate
CID 58557884
Potassium 3,3-difluorocyclobutane-1-sulfonate
CID 86660435
1,2-Difluorocyclobutane-1-sulfonyl chloride
CID 87313726
2,3-Difluorocyclobutane-1-sulfonyl chloride
CID 87313727
1,2,4-Trifluorobutane-1-sulfonyl chloride
CID 87697951

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl chloride?
The IUPAC name of cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl chloride (CID 122163500) is cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl chloride.
What is the SMILES notation for cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl chloride?
The canonical SMILES for cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl chloride is O=S(=O)(Cl)[C@H]1CC[C@H]1F.
What is the InChIKey of cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl chloride?
The InChIKey is MBCWYXRUYHCUIL-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H6ClFO2S/c5-9(7,8)4-2-1-3(4)6/h3-4H,1-2H2/t3-,4+/m1/s1.
What are the key properties of cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl chloride?
cis-(1S,2R)-2-fluorocyclobutane-1-sulfonyl chloride has a molecular weight of 172.61 g/mol, XLogP of 1.06, 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 chloride is sourced from PubChem (CID 122163500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).