3-bromo-1,1-difluoroprop-1-ene

C3H3BrF2 — CID 2782752

IUPAC3-bromo-1,1-difluoroprop-1-ene
SMILESFC(F)=CCBr
InChIInChI=1S/C3H3BrF2/c4-2-1-3(5)6/h1H,2H2
InChIKeyBGRGXBWMPNEZMS-UHFFFAOYSA-N
MW156.96 g/mol
LogP2.16
Rot. Bonds1

About 3-bromo-1,1-difluoroprop-1-ene

3-bromo-1,1-difluoroprop-1-ene (PubChem CID 2782752) has the molecular formula C3H3BrF2 and a molecular weight of 156.96 g/mol. Its IUPAC name is 3-bromo-1,1-difluoroprop-1-ene.

Molecular Properties

Compound Name3-bromo-1,1-difluoroprop-1-ene
PubChem CID2782752
Molecular FormulaC3H3BrF2
Molecular Weight156.96 g/mol
Exact Mass155.94
IUPAC Name3-bromo-1,1-difluoroprop-1-ene
SMILESFC(F)=CCBr
InChIInChI=1S/C3H3BrF2/c4-2-1-3(5)6/h1H,2H2
InChIKeyBGRGXBWMPNEZMS-UHFFFAOYSA-N
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.96
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,1-difluoroprop-1-ene?
The IUPAC name of 3-bromo-1,1-difluoroprop-1-ene (CID 2782752) is 3-bromo-1,1-difluoroprop-1-ene.
What is the SMILES notation for 3-bromo-1,1-difluoroprop-1-ene?
The canonical SMILES for 3-bromo-1,1-difluoroprop-1-ene is FC(F)=CCBr.
What is the InChIKey of 3-bromo-1,1-difluoroprop-1-ene?
The InChIKey is BGRGXBWMPNEZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrF2/c4-2-1-3(5)6/h1H,2H2.
What are the key properties of 3-bromo-1,1-difluoroprop-1-ene?
3-bromo-1,1-difluoroprop-1-ene has a molecular weight of 156.96 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,1-difluoroprop-1-ene is sourced from PubChem (CID 2782752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).