iodo 2-fluoroprop-2-enoate

C3H2FIO2 — CID 166890088

IUPACiodo 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OI
InChIInChI=1S/C3H2FIO2/c1-2(4)3(6)7-5/h1H2
InChIKeyNTGSAHGDLPVCDA-UHFFFAOYSA-N
MW215.95 g/mol
LogP1.36
Rot. Bonds1

About iodo 2-fluoroprop-2-enoate

iodo 2-fluoroprop-2-enoate (PubChem CID 166890088) has the molecular formula C3H2FIO2 and a molecular weight of 215.95 g/mol. Its IUPAC name is iodo 2-fluoroprop-2-enoate.

Molecular Properties

Compound Nameiodo 2-fluoroprop-2-enoate
PubChem CID166890088
Molecular FormulaC3H2FIO2
Molecular Weight215.95 g/mol
Exact Mass215.91
IUPAC Nameiodo 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OI
InChIInChI=1S/C3H2FIO2/c1-2(4)3(6)7-5/h1H2
InChIKeyNTGSAHGDLPVCDA-UHFFFAOYSA-N
XLogP1.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.95
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iodo 2-fluoroprop-2-enoate?
The IUPAC name of iodo 2-fluoroprop-2-enoate (CID 166890088) is iodo 2-fluoroprop-2-enoate.
What is the SMILES notation for iodo 2-fluoroprop-2-enoate?
The canonical SMILES for iodo 2-fluoroprop-2-enoate is C=C(F)C(=O)OI.
What is the InChIKey of iodo 2-fluoroprop-2-enoate?
The InChIKey is NTGSAHGDLPVCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2FIO2/c1-2(4)3(6)7-5/h1H2.
What are the key properties of iodo 2-fluoroprop-2-enoate?
iodo 2-fluoroprop-2-enoate has a molecular weight of 215.95 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 2-fluoroprop-2-enoate is sourced from PubChem (CID 166890088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).