2-(1,1-difluoroethoxy)ethyl carboniodidate

C5H7F2IO3 — CID 149498946

IUPAC2-(1,1-difluoroethoxy)ethyl carboniodidate
SMILESCC(F)(F)OCCOC(=O)I
InChIInChI=1S/C5H7F2IO3/c1-5(6,7)11-3-2-10-4(8)9/h2-3H2,1H3
InChIKeyZGPJNWQBIFQWMY-UHFFFAOYSA-N
MW280.01 g/mol
LogP2.19
Rot. Bonds4

About 2-(1,1-difluoroethoxy)ethyl carboniodidate

2-(1,1-difluoroethoxy)ethyl carboniodidate (PubChem CID 149498946) has the molecular formula C5H7F2IO3 and a molecular weight of 280.01 g/mol. Its IUPAC name is 2-(1,1-difluoroethoxy)ethyl carboniodidate.

Molecular Properties

Compound Name2-(1,1-difluoroethoxy)ethyl carboniodidate
PubChem CID149498946
Molecular FormulaC5H7F2IO3
Molecular Weight280.01 g/mol
Exact Mass279.94
IUPAC Name2-(1,1-difluoroethoxy)ethyl carboniodidate
SMILESCC(F)(F)OCCOC(=O)I
InChIInChI=1S/C5H7F2IO3/c1-5(6,7)11-3-2-10-4(8)9/h2-3H2,1H3
InChIKeyZGPJNWQBIFQWMY-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.01
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethoxy)ethyl carboniodidate?
The IUPAC name of 2-(1,1-difluoroethoxy)ethyl carboniodidate (CID 149498946) is 2-(1,1-difluoroethoxy)ethyl carboniodidate.
What is the SMILES notation for 2-(1,1-difluoroethoxy)ethyl carboniodidate?
The canonical SMILES for 2-(1,1-difluoroethoxy)ethyl carboniodidate is CC(F)(F)OCCOC(=O)I.
What is the InChIKey of 2-(1,1-difluoroethoxy)ethyl carboniodidate?
The InChIKey is ZGPJNWQBIFQWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2IO3/c1-5(6,7)11-3-2-10-4(8)9/h2-3H2,1H3.
What are the key properties of 2-(1,1-difluoroethoxy)ethyl carboniodidate?
2-(1,1-difluoroethoxy)ethyl carboniodidate has a molecular weight of 280.01 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethoxy)ethyl carboniodidate is sourced from PubChem (CID 149498946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).