1,2-dibromo-3,3,3-trifluoroprop-1-ene

C3HBr2F3 — CID 2736808

IUPAC1,2-dibromo-3,3,3-trifluoroprop-1-ene
SMILESFC(F)(F)C(Br)=CBr
InChIInChI=1S/C3HBr2F3/c4-1-2(5)3(6,7)8/h1H
InChIKeyDCJYYAUJHDDEAA-UHFFFAOYSA-N
MW253.84 g/mol
LogP3.18
Rot. Bonds

About 1,2-dibromo-3,3,3-trifluoroprop-1-ene

1,2-dibromo-3,3,3-trifluoroprop-1-ene (PubChem CID 2736808) has the molecular formula C3HBr2F3 and a molecular weight of 253.84 g/mol. Its IUPAC name is 1,2-dibromo-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name1,2-dibromo-3,3,3-trifluoroprop-1-ene
PubChem CID2736808
Molecular FormulaC3HBr2F3
Molecular Weight253.84 g/mol
Exact Mass251.84
IUPAC Name1,2-dibromo-3,3,3-trifluoroprop-1-ene
SMILESFC(F)(F)C(Br)=CBr
InChIInChI=1S/C3HBr2F3/c4-1-2(5)3(6,7)8/h1H
InChIKeyDCJYYAUJHDDEAA-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.84
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3,3,3-trifluoroprop-1-ene?
The IUPAC name of 1,2-dibromo-3,3,3-trifluoroprop-1-ene (CID 2736808) is 1,2-dibromo-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 1,2-dibromo-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 1,2-dibromo-3,3,3-trifluoroprop-1-ene is FC(F)(F)C(Br)=CBr.
What is the InChIKey of 1,2-dibromo-3,3,3-trifluoroprop-1-ene?
The InChIKey is DCJYYAUJHDDEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBr2F3/c4-1-2(5)3(6,7)8/h1H.
What are the key properties of 1,2-dibromo-3,3,3-trifluoroprop-1-ene?
1,2-dibromo-3,3,3-trifluoroprop-1-ene has a molecular weight of 253.84 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 2736808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).