2-fluoropyrrolidine-1-sulfonyl chloride

C4H7ClFNO2S — CID 122700641

IUPAC2-fluoropyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCCC1F
InChIInChI=1S/C4H7ClFNO2S/c5-10(8,9)7-3-1-2-4(7)6/h4H,1-3H2
InChIKeyXNHHHZJUZCDPRB-UHFFFAOYSA-N
MW187.62 g/mol
LogP0.86
Rot. Bonds1

About 2-fluoropyrrolidine-1-sulfonyl chloride

2-fluoropyrrolidine-1-sulfonyl chloride (PubChem CID 122700641) has the molecular formula C4H7ClFNO2S and a molecular weight of 187.62 g/mol. Its IUPAC name is 2-fluoropyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-fluoropyrrolidine-1-sulfonyl chloride
PubChem CID122700641
Molecular FormulaC4H7ClFNO2S
Molecular Weight187.62 g/mol
Exact Mass186.99
IUPAC Name2-fluoropyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCCC1F
InChIInChI=1S/C4H7ClFNO2S/c5-10(8,9)7-3-1-2-4(7)6/h4H,1-3H2
InChIKeyXNHHHZJUZCDPRB-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropyrrolidine-1-sulfonyl chloride?
The IUPAC name of 2-fluoropyrrolidine-1-sulfonyl chloride (CID 122700641) is 2-fluoropyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for 2-fluoropyrrolidine-1-sulfonyl chloride?
The canonical SMILES for 2-fluoropyrrolidine-1-sulfonyl chloride is O=S(=O)(Cl)N1CCCC1F.
What is the InChIKey of 2-fluoropyrrolidine-1-sulfonyl chloride?
The InChIKey is XNHHHZJUZCDPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClFNO2S/c5-10(8,9)7-3-1-2-4(7)6/h4H,1-3H2.
What are the key properties of 2-fluoropyrrolidine-1-sulfonyl chloride?
2-fluoropyrrolidine-1-sulfonyl chloride has a molecular weight of 187.62 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 122700641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).