4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene

C4BrF6I — CID 57013236

IUPAC4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene
SMILESFC(I)=C(F)C(F)(F)C(F)(F)Br
InChIInChI=1S/C4BrF6I/c5-4(10,11)3(8,9)1(6)2(7)12
InChIKeyFKYXMIYTMWXJOY-UHFFFAOYSA-N
MW368.84 g/mol
LogP4.15
Rot. Bonds2

About 4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene

4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene (PubChem CID 57013236) has the molecular formula C4BrF6I and a molecular weight of 368.84 g/mol. Its IUPAC name is 4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene.

Molecular Properties

Compound Name4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene
PubChem CID57013236
Molecular FormulaC4BrF6I
Molecular Weight368.84 g/mol
Exact Mass367.81
IUPAC Name4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene
SMILESFC(I)=C(F)C(F)(F)C(F)(F)Br
InChIInChI=1S/C4BrF6I/c5-4(10,11)3(8,9)1(6)2(7)12
InChIKeyFKYXMIYTMWXJOY-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 54.15
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene?
The IUPAC name of 4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene (CID 57013236) is 4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene.
What is the SMILES notation for 4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene?
The canonical SMILES for 4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene is FC(I)=C(F)C(F)(F)C(F)(F)Br.
What is the InChIKey of 4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene?
The InChIKey is FKYXMIYTMWXJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4BrF6I/c5-4(10,11)3(8,9)1(6)2(7)12.
What are the key properties of 4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene?
4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene has a molecular weight of 368.84 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,2,3,3,4,4-hexafluoro-1-iodobut-1-ene is sourced from PubChem (CID 57013236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).