3-fluoropyrrolidine-1-sulfonyl chloride

C4H7ClFNO2S — CID 75530150

IUPAC3-fluoropyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCC(F)C1
InChIInChI=1S/C4H7ClFNO2S/c5-10(8,9)7-2-1-4(6)3-7/h4H,1-3H2
InChIKeyKIKDRXJNIMWUMX-UHFFFAOYSA-N
MW187.62 g/mol
LogP0.51
Rot. Bonds1

About 3-fluoropyrrolidine-1-sulfonyl chloride

3-fluoropyrrolidine-1-sulfonyl chloride (PubChem CID 75530150) has the molecular formula C4H7ClFNO2S and a molecular weight of 187.62 g/mol. Its IUPAC name is 3-fluoropyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name3-fluoropyrrolidine-1-sulfonyl chloride
PubChem CID75530150
Molecular FormulaC4H7ClFNO2S
Molecular Weight187.62 g/mol
Exact Mass186.99
IUPAC Name3-fluoropyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCC(F)C1
InChIInChI=1S/C4H7ClFNO2S/c5-10(8,9)7-2-1-4(6)3-7/h4H,1-3H2
InChIKeyKIKDRXJNIMWUMX-UHFFFAOYSA-N
XLogP0.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.62
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropyrrolidine-1-sulfonyl chloride?
The IUPAC name of 3-fluoropyrrolidine-1-sulfonyl chloride (CID 75530150) is 3-fluoropyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for 3-fluoropyrrolidine-1-sulfonyl chloride?
The canonical SMILES for 3-fluoropyrrolidine-1-sulfonyl chloride is O=S(=O)(Cl)N1CCC(F)C1.
What is the InChIKey of 3-fluoropyrrolidine-1-sulfonyl chloride?
The InChIKey is KIKDRXJNIMWUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClFNO2S/c5-10(8,9)7-2-1-4(6)3-7/h4H,1-3H2.
What are the key properties of 3-fluoropyrrolidine-1-sulfonyl chloride?
3-fluoropyrrolidine-1-sulfonyl chloride has a molecular weight of 187.62 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 75530150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).