1,1,3-tribromo-3,3-difluoroprop-1-ene

C3HBr3F2 — CID 10881578

IUPAC1,1,3-tribromo-3,3-difluoroprop-1-ene
SMILESFC(F)(Br)C=C(Br)Br
InChIInChI=1S/C3HBr3F2/c4-2(5)1-3(6,7)8/h1H
InChIKeyKQAJLGFVYZBEHD-UHFFFAOYSA-N
MW314.75 g/mol
LogP3.61
Rot. Bonds1

About 1,1,3-tribromo-3,3-difluoroprop-1-ene

1,1,3-tribromo-3,3-difluoroprop-1-ene (PubChem CID 10881578) has the molecular formula C3HBr3F2 and a molecular weight of 314.75 g/mol. Its IUPAC name is 1,1,3-tribromo-3,3-difluoroprop-1-ene.

Molecular Properties

Compound Name1,1,3-tribromo-3,3-difluoroprop-1-ene
PubChem CID10881578
Molecular FormulaC3HBr3F2
Molecular Weight314.75 g/mol
Exact Mass311.76
IUPAC Name1,1,3-tribromo-3,3-difluoroprop-1-ene
SMILESFC(F)(Br)C=C(Br)Br
InChIInChI=1S/C3HBr3F2/c4-2(5)1-3(6,7)8/h1H
InChIKeyKQAJLGFVYZBEHD-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 53.61
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 1,1,3-tribromo-3,3-difluoroprop-1-ene?
The IUPAC name of 1,1,3-tribromo-3,3-difluoroprop-1-ene (CID 10881578) is 1,1,3-tribromo-3,3-difluoroprop-1-ene.
What is the SMILES notation for 1,1,3-tribromo-3,3-difluoroprop-1-ene?
The canonical SMILES for 1,1,3-tribromo-3,3-difluoroprop-1-ene is FC(F)(Br)C=C(Br)Br.
What is the InChIKey of 1,1,3-tribromo-3,3-difluoroprop-1-ene?
The InChIKey is KQAJLGFVYZBEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBr3F2/c4-2(5)1-3(6,7)8/h1H.
What are the key properties of 1,1,3-tribromo-3,3-difluoroprop-1-ene?
1,1,3-tribromo-3,3-difluoroprop-1-ene has a molecular weight of 314.75 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-tribromo-3,3-difluoroprop-1-ene is sourced from PubChem (CID 10881578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).