2,2-difluorocyclopropane-1-carbonyl iodide

C4H3F2IO — CID 90251156

IUPAC2,2-difluorocyclopropane-1-carbonyl iodide
SMILESO=C(I)C1CC1(F)F
InChIInChI=1S/C4H3F2IO/c5-4(6)1-2(4)3(7)8/h2H,1H2
InChIKeyDNBIXUOMNONEPN-UHFFFAOYSA-N
MW231.97 g/mol
LogP1.60
Rot. Bonds1

About 2,2-difluorocyclopropane-1-carbonyl iodide

2,2-difluorocyclopropane-1-carbonyl iodide (PubChem CID 90251156) has the molecular formula C4H3F2IO and a molecular weight of 231.97 g/mol. Its IUPAC name is 2,2-difluorocyclopropane-1-carbonyl iodide.

Molecular Properties

Compound Name2,2-difluorocyclopropane-1-carbonyl iodide
PubChem CID90251156
Molecular FormulaC4H3F2IO
Molecular Weight231.97 g/mol
Exact Mass231.92
IUPAC Name2,2-difluorocyclopropane-1-carbonyl iodide
SMILESO=C(I)C1CC1(F)F
InChIInChI=1S/C4H3F2IO/c5-4(6)1-2(4)3(7)8/h2H,1H2
InChIKeyDNBIXUOMNONEPN-UHFFFAOYSA-N
XLogP1.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.97
LogP ≤ 51.60
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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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorocyclopropane-1-carbonyl iodide?
The IUPAC name of 2,2-difluorocyclopropane-1-carbonyl iodide (CID 90251156) is 2,2-difluorocyclopropane-1-carbonyl iodide.
What is the SMILES notation for 2,2-difluorocyclopropane-1-carbonyl iodide?
The canonical SMILES for 2,2-difluorocyclopropane-1-carbonyl iodide is O=C(I)C1CC1(F)F.
What is the InChIKey of 2,2-difluorocyclopropane-1-carbonyl iodide?
The InChIKey is DNBIXUOMNONEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2IO/c5-4(6)1-2(4)3(7)8/h2H,1H2.
What are the key properties of 2,2-difluorocyclopropane-1-carbonyl iodide?
2,2-difluorocyclopropane-1-carbonyl iodide has a molecular weight of 231.97 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorocyclopropane-1-carbonyl iodide is sourced from PubChem (CID 90251156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).