(E)-1-fluoro-4-iodobut-1-ene

C4H6FI — CID 19834663

IUPAC(E)-1-fluoro-4-iodobut-1-ene
SMILESF/C=C/CCI
InChIInChI=1S/C4H6FI/c5-3-1-2-4-6/h1,3H,2,4H2/b3-1+
InChIKeyNCDIJSKTXXSQMU-HNQUOIGGSA-N
MW199.99 g/mol
LogP2.29
Rot. Bonds2

About (E)-1-fluoro-4-iodobut-1-ene

(E)-1-fluoro-4-iodobut-1-ene (PubChem CID 19834663) has the molecular formula C4H6FI and a molecular weight of 199.99 g/mol. Its IUPAC name is (E)-1-fluoro-4-iodobut-1-ene.

Molecular Properties

Compound Name(E)-1-fluoro-4-iodobut-1-ene
PubChem CID19834663
Molecular FormulaC4H6FI
Molecular Weight199.99 g/mol
Exact Mass199.95
IUPAC Name(E)-1-fluoro-4-iodobut-1-ene
SMILESF/C=C/CCI
InChIInChI=1S/C4H6FI/c5-3-1-2-4-6/h1,3H,2,4H2/b3-1+
InChIKeyNCDIJSKTXXSQMU-HNQUOIGGSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.99
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-4-iodobut-1-ene?
The IUPAC name of (E)-1-fluoro-4-iodobut-1-ene (CID 19834663) is (E)-1-fluoro-4-iodobut-1-ene.
What is the SMILES notation for (E)-1-fluoro-4-iodobut-1-ene?
The canonical SMILES for (E)-1-fluoro-4-iodobut-1-ene is F/C=C/CCI.
What is the InChIKey of (E)-1-fluoro-4-iodobut-1-ene?
The InChIKey is NCDIJSKTXXSQMU-HNQUOIGGSA-N. The full InChI is InChI=1S/C4H6FI/c5-3-1-2-4-6/h1,3H,2,4H2/b3-1+.
What are the key properties of (E)-1-fluoro-4-iodobut-1-ene?
(E)-1-fluoro-4-iodobut-1-ene has a molecular weight of 199.99 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-4-iodobut-1-ene is sourced from PubChem (CID 19834663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).