(E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene

C4HF6I — CID 11962025

IUPAC(E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene
SMILESFC(F)(F)/C=C(/I)C(F)(F)F
InChIInChI=1S/C4HF6I/c5-3(6,7)1-2(11)4(8,9)10/h1H/b2-1+
InChIKeyAAXQTNTZMACLDP-OWOJBTEDSA-N
MW289.94 g/mol
LogP3.43
Rot. Bonds

About (E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene

(E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene (PubChem CID 11962025) has the molecular formula C4HF6I and a molecular weight of 289.94 g/mol. Its IUPAC name is (E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene
PubChem CID11962025
Molecular FormulaC4HF6I
Molecular Weight289.94 g/mol
Exact Mass289.90
IUPAC Name(E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene
SMILESFC(F)(F)/C=C(/I)C(F)(F)F
InChIInChI=1S/C4HF6I/c5-3(6,7)1-2(11)4(8,9)10/h1H/b2-1+
InChIKeyAAXQTNTZMACLDP-OWOJBTEDSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.94
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene?
The IUPAC name of (E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene (CID 11962025) is (E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene.
What is the SMILES notation for (E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene?
The canonical SMILES for (E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene is FC(F)(F)/C=C(/I)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene?
The InChIKey is AAXQTNTZMACLDP-OWOJBTEDSA-N. The full InChI is InChI=1S/C4HF6I/c5-3(6,7)1-2(11)4(8,9)10/h1H/b2-1+.
What are the key properties of (E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene?
(E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene has a molecular weight of 289.94 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene is sourced from PubChem (CID 11962025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).