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

C5H7FINO — CID 122536493

IUPAC(3R)-3-fluoropyrrolidine-1-carbonyl iodide
SMILESO=C(I)N1CC[C@@H](F)C1
InChIInChI=1S/C5H7FINO/c6-4-1-2-8(3-4)5(7)9/h4H,1-3H2/t4-/m1/s1
InChIKeyKLUSEXVIVAWGQZ-SCSAIBSYSA-N
MW243.02 g/mol
LogP1.59
Rot. Bonds

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

(3R)-3-fluoropyrrolidine-1-carbonyl iodide (PubChem CID 122536493) has the molecular formula C5H7FINO and a molecular weight of 243.02 g/mol. Its IUPAC name is (3R)-3-fluoropyrrolidine-1-carbonyl iodide.

Molecular Properties

Compound Name(3R)-3-fluoropyrrolidine-1-carbonyl iodide
PubChem CID122536493
Molecular FormulaC5H7FINO
Molecular Weight243.02 g/mol
Exact Mass242.96
IUPAC Name(3R)-3-fluoropyrrolidine-1-carbonyl iodide
SMILESO=C(I)N1CC[C@@H](F)C1
InChIInChI=1S/C5H7FINO/c6-4-1-2-8(3-4)5(7)9/h4H,1-3H2/t4-/m1/s1
InChIKeyKLUSEXVIVAWGQZ-SCSAIBSYSA-N
XLogP1.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.02
LogP ≤ 51.59
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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Related Compounds

2,2-Difluoropyrrolidine-1-carbonyl fluoride
CID 45081322
3-Fluoropyrrolidine-1-carbaldehyde
CID 17842503
2-Fluoropyrrolidine-1-carbaldehyde
CID 87193274
3,4-Difluoropyrrolidine-1-carbaldehyde
CID 87779291
(3R,4S)-3,4-difluoropyrrolidine-1-carbaldehyde
CID 87779292
Pyrrolidine-1-carbonyl fluoride
CID 88732843
1-(3-Fluoropyrrolidin-1-yl)-2-iodoethanone
CID 89036982
(3R)-3-fluoropyrrolidine-1-carbaldehyde
CID 89120709
3,3-Difluoropyrrolidine-1-carbonyl iodide
CID 89160284
3,3-Difluoropyrrolidine-1-carbonyl fluoride
CID 90144291
1-[(3R)-3-fluoropyrrolidin-1-yl]-2-iodoethanone
CID 117681802
(3S)-3-fluoropyrrolidine-1-carbaldehyde
CID 118450648

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoropyrrolidine-1-carbonyl iodide?
The IUPAC name of (3R)-3-fluoropyrrolidine-1-carbonyl iodide (CID 122536493) is (3R)-3-fluoropyrrolidine-1-carbonyl iodide.
What is the SMILES notation for (3R)-3-fluoropyrrolidine-1-carbonyl iodide?
The canonical SMILES for (3R)-3-fluoropyrrolidine-1-carbonyl iodide is O=C(I)N1CC[C@@H](F)C1.
What is the InChIKey of (3R)-3-fluoropyrrolidine-1-carbonyl iodide?
The InChIKey is KLUSEXVIVAWGQZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H7FINO/c6-4-1-2-8(3-4)5(7)9/h4H,1-3H2/t4-/m1/s1.
What are the key properties of (3R)-3-fluoropyrrolidine-1-carbonyl iodide?
(3R)-3-fluoropyrrolidine-1-carbonyl iodide has a molecular weight of 243.02 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoropyrrolidine-1-carbonyl iodide is sourced from PubChem (CID 122536493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).