2-fluorocyclopropane-1-carbonyl iodide

C4H4FIO — CID 118532290

IUPAC2-fluorocyclopropane-1-carbonyl iodide
SMILESO=C(I)C1CC1F
InChIInChI=1S/C4H4FIO/c5-3-1-2(3)4(6)7/h2-3H,1H2
InChIKeyFSJIFJLJWIDZGP-UHFFFAOYSA-N
MW213.98 g/mol
LogP1.31
Rot. Bonds1

About 2-fluorocyclopropane-1-carbonyl iodide

2-fluorocyclopropane-1-carbonyl iodide (PubChem CID 118532290) has the molecular formula C4H4FIO and a molecular weight of 213.98 g/mol. Its IUPAC name is 2-fluorocyclopropane-1-carbonyl iodide.

Molecular Properties

Compound Name2-fluorocyclopropane-1-carbonyl iodide
PubChem CID118532290
Molecular FormulaC4H4FIO
Molecular Weight213.98 g/mol
Exact Mass213.93
IUPAC Name2-fluorocyclopropane-1-carbonyl iodide
SMILESO=C(I)C1CC1F
InChIInChI=1S/C4H4FIO/c5-3-1-2(3)4(6)7/h2-3H,1H2
InChIKeyFSJIFJLJWIDZGP-UHFFFAOYSA-N
XLogP1.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.98
LogP ≤ 51.31
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'}

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Related Compounds

Cyclopropanecarbonyl fluoride
CID 12601608
Cyclopropanecarbonyl iodide
CID 12715977
2,2-Difluorocyclopropane-1-carbonyl iodide
CID 90251156
(2,2-Difluorocyclopropyl)-methyliodanuidylmethanone
CID 163747612

Frequently Asked Questions

What is the IUPAC name of 2-fluorocyclopropane-1-carbonyl iodide?
The IUPAC name of 2-fluorocyclopropane-1-carbonyl iodide (CID 118532290) is 2-fluorocyclopropane-1-carbonyl iodide.
What is the SMILES notation for 2-fluorocyclopropane-1-carbonyl iodide?
The canonical SMILES for 2-fluorocyclopropane-1-carbonyl iodide is O=C(I)C1CC1F.
What is the InChIKey of 2-fluorocyclopropane-1-carbonyl iodide?
The InChIKey is FSJIFJLJWIDZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FIO/c5-3-1-2(3)4(6)7/h2-3H,1H2.
What are the key properties of 2-fluorocyclopropane-1-carbonyl iodide?
2-fluorocyclopropane-1-carbonyl iodide has a molecular weight of 213.98 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorocyclopropane-1-carbonyl iodide is sourced from PubChem (CID 118532290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).