(E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene

C4H3BrF4 — CID 90000422

IUPAC(E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene
SMILESF/C(=C/C(F)(F)F)CBr
InChIInChI=1S/C4H3BrF4/c5-2-3(6)1-4(7,8)9/h1H,2H2/b3-1+
InChIKeyTXJJRDSVRUTQFT-HNQUOIGGSA-N
MW206.96 g/mol
LogP2.80
Rot. Bonds1

About (E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene

(E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene (PubChem CID 90000422) has the molecular formula C4H3BrF4 and a molecular weight of 206.96 g/mol. Its IUPAC name is (E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene.

Molecular Properties

Compound Name(E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene
PubChem CID90000422
Molecular FormulaC4H3BrF4
Molecular Weight206.96 g/mol
Exact Mass205.94
IUPAC Name(E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene
SMILESF/C(=C/C(F)(F)F)CBr
InChIInChI=1S/C4H3BrF4/c5-2-3(6)1-4(7,8)9/h1H,2H2/b3-1+
InChIKeyTXJJRDSVRUTQFT-HNQUOIGGSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene?
The IUPAC name of (E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene (CID 90000422) is (E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene.
What is the SMILES notation for (E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene?
The canonical SMILES for (E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene is F/C(=C/C(F)(F)F)CBr.
What is the InChIKey of (E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene?
The InChIKey is TXJJRDSVRUTQFT-HNQUOIGGSA-N. The full InChI is InChI=1S/C4H3BrF4/c5-2-3(6)1-4(7,8)9/h1H,2H2/b3-1+.
What are the key properties of (E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene?
(E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene has a molecular weight of 206.96 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene is sourced from PubChem (CID 90000422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).