(3R)-3-fluoropyrrolidine-1-sulfonyl iodide

C4H7FINO2S — CID 135173518

IUPAC(3R)-3-fluoropyrrolidine-1-sulfonyl iodide
SMILESO=S(=O)(I)N1CC[C@@H](F)C1
InChIInChI=1S/C4H7FINO2S/c5-4-1-2-7(3-4)10(6,8)9/h4H,1-3H2/t4-/m1/s1
InChIKeyBOYMAZJSGQHVGL-SCSAIBSYSA-N
MW279.07 g/mol
LogP0.71
Rot. Bonds1

About (3R)-3-fluoropyrrolidine-1-sulfonyl iodide

(3R)-3-fluoropyrrolidine-1-sulfonyl iodide (PubChem CID 135173518) has the molecular formula C4H7FINO2S and a molecular weight of 279.07 g/mol. Its IUPAC name is (3R)-3-fluoropyrrolidine-1-sulfonyl iodide.

Molecular Properties

Compound Name(3R)-3-fluoropyrrolidine-1-sulfonyl iodide
PubChem CID135173518
Molecular FormulaC4H7FINO2S
Molecular Weight279.07 g/mol
Exact Mass278.92
IUPAC Name(3R)-3-fluoropyrrolidine-1-sulfonyl iodide
SMILESO=S(=O)(I)N1CC[C@@H](F)C1
InChIInChI=1S/C4H7FINO2S/c5-4-1-2-7(3-4)10(6,8)9/h4H,1-3H2/t4-/m1/s1
InChIKeyBOYMAZJSGQHVGL-SCSAIBSYSA-N
XLogP0.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.07
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoropyrrolidine-1-sulfonyl iodide?
The IUPAC name of (3R)-3-fluoropyrrolidine-1-sulfonyl iodide (CID 135173518) is (3R)-3-fluoropyrrolidine-1-sulfonyl iodide.
What is the SMILES notation for (3R)-3-fluoropyrrolidine-1-sulfonyl iodide?
The canonical SMILES for (3R)-3-fluoropyrrolidine-1-sulfonyl iodide is O=S(=O)(I)N1CC[C@@H](F)C1.
What is the InChIKey of (3R)-3-fluoropyrrolidine-1-sulfonyl iodide?
The InChIKey is BOYMAZJSGQHVGL-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H7FINO2S/c5-4-1-2-7(3-4)10(6,8)9/h4H,1-3H2/t4-/m1/s1.
What are the key properties of (3R)-3-fluoropyrrolidine-1-sulfonyl iodide?
(3R)-3-fluoropyrrolidine-1-sulfonyl iodide has a molecular weight of 279.07 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoropyrrolidine-1-sulfonyl iodide is sourced from PubChem (CID 135173518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).