3,3-difluoropyrrolidine-1-carbonyl iodide

C5H6F2INO — CID 89160284

IUPAC3,3-difluoropyrrolidine-1-carbonyl iodide
SMILESO=C(I)N1CCC(F)(F)C1
InChIInChI=1S/C5H6F2INO/c6-5(7)1-2-9(3-5)4(8)10/h1-3H2
InChIKeyUOZNSMQAAIXOAG-UHFFFAOYSA-N
MW261.01 g/mol
LogP1.88
Rot. Bonds

About 3,3-difluoropyrrolidine-1-carbonyl iodide

3,3-difluoropyrrolidine-1-carbonyl iodide (PubChem CID 89160284) has the molecular formula C5H6F2INO and a molecular weight of 261.01 g/mol. Its IUPAC name is 3,3-difluoropyrrolidine-1-carbonyl iodide.

Molecular Properties

Compound Name3,3-difluoropyrrolidine-1-carbonyl iodide
PubChem CID89160284
Molecular FormulaC5H6F2INO
Molecular Weight261.01 g/mol
Exact Mass260.95
IUPAC Name3,3-difluoropyrrolidine-1-carbonyl iodide
SMILESO=C(I)N1CCC(F)(F)C1
InChIInChI=1S/C5H6F2INO/c6-5(7)1-2-9(3-5)4(8)10/h1-3H2
InChIKeyUOZNSMQAAIXOAG-UHFFFAOYSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.01
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropyrrolidine-1-carbonyl iodide?
The IUPAC name of 3,3-difluoropyrrolidine-1-carbonyl iodide (CID 89160284) is 3,3-difluoropyrrolidine-1-carbonyl iodide.
What is the SMILES notation for 3,3-difluoropyrrolidine-1-carbonyl iodide?
The canonical SMILES for 3,3-difluoropyrrolidine-1-carbonyl iodide is O=C(I)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoropyrrolidine-1-carbonyl iodide?
The InChIKey is UOZNSMQAAIXOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2INO/c6-5(7)1-2-9(3-5)4(8)10/h1-3H2.
What are the key properties of 3,3-difluoropyrrolidine-1-carbonyl iodide?
3,3-difluoropyrrolidine-1-carbonyl iodide has a molecular weight of 261.01 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropyrrolidine-1-carbonyl iodide is sourced from PubChem (CID 89160284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).