1-bromo-3,3,4,4-tetrafluorobut-1-ene

C4H3BrF4 — CID 54171510

IUPAC1-bromo-3,3,4,4-tetrafluorobut-1-ene
SMILESFC(F)C(F)(F)C=CBr
InChIInChI=1S/C4H3BrF4/c5-2-1-4(8,9)3(6)7/h1-3H
InChIKeyOVJCTKGXZMKBCX-UHFFFAOYSA-N
MW206.96 g/mol
LogP2.80
Rot. Bonds2

About 1-bromo-3,3,4,4-tetrafluorobut-1-ene

1-bromo-3,3,4,4-tetrafluorobut-1-ene (PubChem CID 54171510) has the molecular formula C4H3BrF4 and a molecular weight of 206.96 g/mol. Its IUPAC name is 1-bromo-3,3,4,4-tetrafluorobut-1-ene.

Molecular Properties

Compound Name1-bromo-3,3,4,4-tetrafluorobut-1-ene
PubChem CID54171510
Molecular FormulaC4H3BrF4
Molecular Weight206.96 g/mol
Exact Mass205.94
IUPAC Name1-bromo-3,3,4,4-tetrafluorobut-1-ene
SMILESFC(F)C(F)(F)C=CBr
InChIInChI=1S/C4H3BrF4/c5-2-1-4(8,9)3(6)7/h1-3H
InChIKeyOVJCTKGXZMKBCX-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.96
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,3,4,4-tetrafluorobut-1-ene?
The IUPAC name of 1-bromo-3,3,4,4-tetrafluorobut-1-ene (CID 54171510) is 1-bromo-3,3,4,4-tetrafluorobut-1-ene.
What is the SMILES notation for 1-bromo-3,3,4,4-tetrafluorobut-1-ene?
The canonical SMILES for 1-bromo-3,3,4,4-tetrafluorobut-1-ene is FC(F)C(F)(F)C=CBr.
What is the InChIKey of 1-bromo-3,3,4,4-tetrafluorobut-1-ene?
The InChIKey is OVJCTKGXZMKBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrF4/c5-2-1-4(8,9)3(6)7/h1-3H.
What are the key properties of 1-bromo-3,3,4,4-tetrafluorobut-1-ene?
1-bromo-3,3,4,4-tetrafluorobut-1-ene has a molecular weight of 206.96 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,3,4,4-tetrafluorobut-1-ene is sourced from PubChem (CID 54171510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).