3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride

C5H9ClFNO2S — CID 165491198

IUPAC3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCC(CF)C1
InChIInChI=1S/C5H9ClFNO2S/c6-11(9,10)8-2-1-5(3-7)4-8/h5H,1-4H2
InChIKeyZVQYMYHOQYUEFA-UHFFFAOYSA-N
MW201.65 g/mol
LogP0.76
Rot. Bonds2

About 3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride

3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride (PubChem CID 165491198) has the molecular formula C5H9ClFNO2S and a molecular weight of 201.65 g/mol. Its IUPAC name is 3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride
PubChem CID165491198
Molecular FormulaC5H9ClFNO2S
Molecular Weight201.65 g/mol
Exact Mass201.00
IUPAC Name3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCC(CF)C1
InChIInChI=1S/C5H9ClFNO2S/c6-11(9,10)8-2-1-5(3-7)4-8/h5H,1-4H2
InChIKeyZVQYMYHOQYUEFA-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride?
The IUPAC name of 3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride (CID 165491198) is 3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for 3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride?
The canonical SMILES for 3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride is O=S(=O)(Cl)N1CCC(CF)C1.
What is the InChIKey of 3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride?
The InChIKey is ZVQYMYHOQYUEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClFNO2S/c6-11(9,10)8-2-1-5(3-7)4-8/h5H,1-4H2.
What are the key properties of 3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride?
3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride has a molecular weight of 201.65 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)pyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 165491198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).