(E)-3-bromo-1-fluoroprop-1-ene

C3H4BrF — CID 12769985

IUPAC(E)-3-bromo-1-fluoroprop-1-ene
SMILESF/C=C/CBr
InChIInChI=1S/C3H4BrF/c4-2-1-3-5/h1,3H,2H2/b3-1+
InChIKeyCKGCNSPBWYDWQF-HNQUOIGGSA-N
MW138.97 g/mol
LogP1.86
Rot. Bonds1

About (E)-3-bromo-1-fluoroprop-1-ene

(E)-3-bromo-1-fluoroprop-1-ene (PubChem CID 12769985) has the molecular formula C3H4BrF and a molecular weight of 138.97 g/mol. Its IUPAC name is (E)-3-bromo-1-fluoroprop-1-ene.

Molecular Properties

Compound Name(E)-3-bromo-1-fluoroprop-1-ene
PubChem CID12769985
Molecular FormulaC3H4BrF
Molecular Weight138.97 g/mol
Exact Mass137.95
IUPAC Name(E)-3-bromo-1-fluoroprop-1-ene
SMILESF/C=C/CBr
InChIInChI=1S/C3H4BrF/c4-2-1-3-5/h1,3H,2H2/b3-1+
InChIKeyCKGCNSPBWYDWQF-HNQUOIGGSA-N
XLogP1.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.97
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-3-bromo-1-fluoroprop-1-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)-3-bromo-1-fluoroprop-1-ene?
The IUPAC name of (E)-3-bromo-1-fluoroprop-1-ene (CID 12769985) is (E)-3-bromo-1-fluoroprop-1-ene.
What is the SMILES notation for (E)-3-bromo-1-fluoroprop-1-ene?
The canonical SMILES for (E)-3-bromo-1-fluoroprop-1-ene is F/C=C/CBr.
What is the InChIKey of (E)-3-bromo-1-fluoroprop-1-ene?
The InChIKey is CKGCNSPBWYDWQF-HNQUOIGGSA-N. The full InChI is InChI=1S/C3H4BrF/c4-2-1-3-5/h1,3H,2H2/b3-1+.
What are the key properties of (E)-3-bromo-1-fluoroprop-1-ene?
(E)-3-bromo-1-fluoroprop-1-ene has a molecular weight of 138.97 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-bromo-1-fluoroprop-1-ene is sourced from PubChem (CID 12769985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).