(E)-4-bromo-1,1,1-trifluorobut-2-ene

C4H4BrF3 — CID 11052411

IUPAC(E)-4-bromo-1,1,1-trifluorobut-2-ene
SMILESFC(F)(F)/C=C/CBr
InChIInChI=1S/C4H4BrF3/c5-3-1-2-4(6,7)8/h1-2H,3H2/b2-1+
InChIKeyAFLONCGUFNMHMB-OWOJBTEDSA-N
MW188.97 g/mol
LogP2.50
Rot. Bonds1

About (E)-4-bromo-1,1,1-trifluorobut-2-ene

(E)-4-bromo-1,1,1-trifluorobut-2-ene (PubChem CID 11052411) has the molecular formula C4H4BrF3 and a molecular weight of 188.97 g/mol. Its IUPAC name is (E)-4-bromo-1,1,1-trifluorobut-2-ene.

Molecular Properties

Compound Name(E)-4-bromo-1,1,1-trifluorobut-2-ene
PubChem CID11052411
Molecular FormulaC4H4BrF3
Molecular Weight188.97 g/mol
Exact Mass187.94
IUPAC Name(E)-4-bromo-1,1,1-trifluorobut-2-ene
SMILESFC(F)(F)/C=C/CBr
InChIInChI=1S/C4H4BrF3/c5-3-1-2-4(6,7)8/h1-2H,3H2/b2-1+
InChIKeyAFLONCGUFNMHMB-OWOJBTEDSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.97
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-1,1,1-trifluorobut-2-ene
CID 53640107
4-Bromo-1,1,2-trifluorobut-2-ene
CID 57208025
(E)-1-bromo-4-fluorobut-2-ene
CID 13147003
(E)-1-bromo-4,4,4-trifluorobut-1-ene
CID 23049288
(Z)-4-Bromo-1,1,1,3-tetrafluorobut-2-ene
CID 44717710
4-Bromo-1,1,1,3-tetrafluoro-but-2-ene
CID 53395690
1-Bromo-4-fluorobut-2-ene
CID 57194373
4-Bromo-1,1-difluorobut-2-ene
CID 57322582
(E)-1-bromo-1,1-difluorobut-2-ene
CID 88091364
(E)-4-bromo-1,1,1,3-tetrafluorobut-2-ene
CID 90000422
1-Bromo-4,4-difluorobut-1-ene
CID 91007977
1-Bromo-1,1-difluorobut-2-ene
CID 91200124

Frequently Asked Questions

What is the IUPAC name of (E)-4-bromo-1,1,1-trifluorobut-2-ene?
The IUPAC name of (E)-4-bromo-1,1,1-trifluorobut-2-ene (CID 11052411) is (E)-4-bromo-1,1,1-trifluorobut-2-ene.
What is the SMILES notation for (E)-4-bromo-1,1,1-trifluorobut-2-ene?
The canonical SMILES for (E)-4-bromo-1,1,1-trifluorobut-2-ene is FC(F)(F)/C=C/CBr.
What is the InChIKey of (E)-4-bromo-1,1,1-trifluorobut-2-ene?
The InChIKey is AFLONCGUFNMHMB-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H4BrF3/c5-3-1-2-4(6,7)8/h1-2H,3H2/b2-1+.
What are the key properties of (E)-4-bromo-1,1,1-trifluorobut-2-ene?
(E)-4-bromo-1,1,1-trifluorobut-2-ene has a molecular weight of 188.97 g/mol, XLogP of 2.50, 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-trifluorobut-2-ene is sourced from PubChem (CID 11052411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).