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

C4H4BrF3 — CID 23049288

IUPAC(E)-1-bromo-4,4,4-trifluorobut-1-ene
SMILESFC(F)(F)C/C=C/Br
InChIInChI=1S/C4H4BrF3/c5-3-1-2-4(6,7)8/h1,3H,2H2/b3-1+
InChIKeyGZIHBQKMUWWACF-HNQUOIGGSA-N
MW188.97 g/mol
LogP2.85
Rot. Bonds1

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

(E)-1-bromo-4,4,4-trifluorobut-1-ene (PubChem CID 23049288) has the molecular formula C4H4BrF3 and a molecular weight of 188.97 g/mol. Its IUPAC name is (E)-1-bromo-4,4,4-trifluorobut-1-ene.

Molecular Properties

Compound Name(E)-1-bromo-4,4,4-trifluorobut-1-ene
PubChem CID23049288
Molecular FormulaC4H4BrF3
Molecular Weight188.97 g/mol
Exact Mass187.94
IUPAC Name(E)-1-bromo-4,4,4-trifluorobut-1-ene
SMILESFC(F)(F)C/C=C/Br
InChIInChI=1S/C4H4BrF3/c5-3-1-2-4(6,7)8/h1,3H,2H2/b3-1+
InChIKeyGZIHBQKMUWWACF-HNQUOIGGSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-4,4,4-trifluorobut-1-ene?
The IUPAC name of (E)-1-bromo-4,4,4-trifluorobut-1-ene (CID 23049288) is (E)-1-bromo-4,4,4-trifluorobut-1-ene.
What is the SMILES notation for (E)-1-bromo-4,4,4-trifluorobut-1-ene?
The canonical SMILES for (E)-1-bromo-4,4,4-trifluorobut-1-ene is FC(F)(F)C/C=C/Br.
What is the InChIKey of (E)-1-bromo-4,4,4-trifluorobut-1-ene?
The InChIKey is GZIHBQKMUWWACF-HNQUOIGGSA-N. The full InChI is InChI=1S/C4H4BrF3/c5-3-1-2-4(6,7)8/h1,3H,2H2/b3-1+.
What are the key properties of (E)-1-bromo-4,4,4-trifluorobut-1-ene?
(E)-1-bromo-4,4,4-trifluorobut-1-ene has a molecular weight of 188.97 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-4,4,4-trifluorobut-1-ene is sourced from PubChem (CID 23049288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).