(E)-1-bromo-3,4,4-trifluoro-3-iodobut-1-ene

C4H3BrF3I — CID 141138020

IUPAC(E)-1-bromo-3,4,4-trifluoro-3-iodobut-1-ene
SMILESFC(F)C(F)(I)/C=C/Br
InChIInChI=1S/C4H3BrF3I/c5-2-1-4(8,9)3(6)7/h1-3H/b2-1+
InChIKeyPNRGRQNIDREPNR-OWOJBTEDSA-N
MW314.87 g/mol
LogP3.26
Rot. Bonds2

About (E)-1-bromo-3,4,4-trifluoro-3-iodobut-1-ene

(E)-1-bromo-3,4,4-trifluoro-3-iodobut-1-ene (PubChem CID 141138020) has the molecular formula C4H3BrF3I and a molecular weight of 314.87 g/mol. Its IUPAC name is (E)-1-bromo-3,4,4-trifluoro-3-iodobut-1-ene.

Molecular Properties

Compound Name(E)-1-bromo-3,4,4-trifluoro-3-iodobut-1-ene
PubChem CID141138020
Molecular FormulaC4H3BrF3I
Molecular Weight314.87 g/mol
Exact Mass313.84
IUPAC Name(E)-1-bromo-3,4,4-trifluoro-3-iodobut-1-ene
SMILESFC(F)C(F)(I)/C=C/Br
InChIInChI=1S/C4H3BrF3I/c5-2-1-4(8,9)3(6)7/h1-3H/b2-1+
InChIKeyPNRGRQNIDREPNR-OWOJBTEDSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.87
LogP ≤ 53.26
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-bromo-3,4,4-trifluoro-3-iodobut-1-ene?
The IUPAC name of (E)-1-bromo-3,4,4-trifluoro-3-iodobut-1-ene (CID 141138020) is (E)-1-bromo-3,4,4-trifluoro-3-iodobut-1-ene.
What is the SMILES notation for (E)-1-bromo-3,4,4-trifluoro-3-iodobut-1-ene?
The canonical SMILES for (E)-1-bromo-3,4,4-trifluoro-3-iodobut-1-ene is FC(F)C(F)(I)/C=C/Br.
What is the InChIKey of (E)-1-bromo-3,4,4-trifluoro-3-iodobut-1-ene?
The InChIKey is PNRGRQNIDREPNR-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H3BrF3I/c5-2-1-4(8,9)3(6)7/h1-3H/b2-1+.
What are the key properties of (E)-1-bromo-3,4,4-trifluoro-3-iodobut-1-ene?
(E)-1-bromo-3,4,4-trifluoro-3-iodobut-1-ene has a molecular weight of 314.87 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-3,4,4-trifluoro-3-iodobut-1-ene is sourced from PubChem (CID 141138020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).