5-bromo-5,5-difluoropent-1-ene

C5H7BrF2 — CID 555346

IUPAC5-bromo-5,5-difluoropent-1-ene
SMILESC=CCCC(F)(F)Br
InChIInChI=1S/C5H7BrF2/c1-2-3-4-5(6,7)8/h2H,1,3-4H2
InChIKeyHSVBKQUTKRVGLI-UHFFFAOYSA-N
MW185.01 g/mol
LogP2.94
Rot. Bonds3

About 5-bromo-5,5-difluoropent-1-ene

5-bromo-5,5-difluoropent-1-ene (PubChem CID 555346) has the molecular formula C5H7BrF2 and a molecular weight of 185.01 g/mol. Its IUPAC name is 5-bromo-5,5-difluoropent-1-ene.

Molecular Properties

Compound Name5-bromo-5,5-difluoropent-1-ene
PubChem CID555346
Molecular FormulaC5H7BrF2
Molecular Weight185.01 g/mol
Exact Mass183.97
IUPAC Name5-bromo-5,5-difluoropent-1-ene
SMILESC=CCCC(F)(F)Br
InChIInChI=1S/C5H7BrF2/c1-2-3-4-5(6,7)8/h2H,1,3-4H2
InChIKeyHSVBKQUTKRVGLI-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.01
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-5,5-difluoropent-1-ene?
The IUPAC name of 5-bromo-5,5-difluoropent-1-ene (CID 555346) is 5-bromo-5,5-difluoropent-1-ene.
What is the SMILES notation for 5-bromo-5,5-difluoropent-1-ene?
The canonical SMILES for 5-bromo-5,5-difluoropent-1-ene is C=CCCC(F)(F)Br.
What is the InChIKey of 5-bromo-5,5-difluoropent-1-ene?
The InChIKey is HSVBKQUTKRVGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrF2/c1-2-3-4-5(6,7)8/h2H,1,3-4H2.
What are the key properties of 5-bromo-5,5-difluoropent-1-ene?
5-bromo-5,5-difluoropent-1-ene has a molecular weight of 185.01 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-5,5-difluoropent-1-ene is sourced from PubChem (CID 555346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).