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

C3HBr2F3 — CID 175013472

IUPAC3,3-dibromo-1,1,2-trifluoroprop-1-ene
SMILESFC(F)=C(F)C(Br)Br
InChIInChI=1S/C3HBr2F3/c4-2(5)1(6)3(7)8/h2H
InChIKeyDECLQAYXTBAWDV-UHFFFAOYSA-N
MW253.84 g/mol
LogP3.18
Rot. Bonds1

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

3,3-dibromo-1,1,2-trifluoroprop-1-ene (PubChem CID 175013472) has the molecular formula C3HBr2F3 and a molecular weight of 253.84 g/mol. Its IUPAC name is 3,3-dibromo-1,1,2-trifluoroprop-1-ene.

Molecular Properties

Compound Name3,3-dibromo-1,1,2-trifluoroprop-1-ene
PubChem CID175013472
Molecular FormulaC3HBr2F3
Molecular Weight253.84 g/mol
Exact Mass251.84
IUPAC Name3,3-dibromo-1,1,2-trifluoroprop-1-ene
SMILESFC(F)=C(F)C(Br)Br
InChIInChI=1S/C3HBr2F3/c4-2(5)1(6)3(7)8/h2H
InChIKeyDECLQAYXTBAWDV-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

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 3,3-dibromo-1,1,2-trifluoroprop-1-ene?
The IUPAC name of 3,3-dibromo-1,1,2-trifluoroprop-1-ene (CID 175013472) is 3,3-dibromo-1,1,2-trifluoroprop-1-ene.
What is the SMILES notation for 3,3-dibromo-1,1,2-trifluoroprop-1-ene?
The canonical SMILES for 3,3-dibromo-1,1,2-trifluoroprop-1-ene is FC(F)=C(F)C(Br)Br.
What is the InChIKey of 3,3-dibromo-1,1,2-trifluoroprop-1-ene?
The InChIKey is DECLQAYXTBAWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBr2F3/c4-2(5)1(6)3(7)8/h2H.
What are the key properties of 3,3-dibromo-1,1,2-trifluoroprop-1-ene?
3,3-dibromo-1,1,2-trifluoroprop-1-ene has a molecular weight of 253.84 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibromo-1,1,2-trifluoroprop-1-ene is sourced from PubChem (CID 175013472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).