4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide

C4H5Br2F3 — CID 172745948

IUPAC4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide
SMILESBr.FC(F)=C(F)CCBr
InChIInChI=1S/C4H4BrF3.BrH/c5-2-1-3(6)4(7)8;/h1-2H2;1H
InChIKeyJSKXQUQGALNVLE-UHFFFAOYSA-N
MW269.89 g/mol
LogP3.43
Rot. Bonds2

About 4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide

4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide (PubChem CID 172745948) has the molecular formula C4H5Br2F3 and a molecular weight of 269.89 g/mol. Its IUPAC name is 4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide.

Molecular Properties

Compound Name4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide
PubChem CID172745948
Molecular FormulaC4H5Br2F3
Molecular Weight269.89 g/mol
Exact Mass267.87
IUPAC Name4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide
SMILESBr.FC(F)=C(F)CCBr
InChIInChI=1S/C4H4BrF3.BrH/c5-2-1-3(6)4(7)8;/h1-2H2;1H
InChIKeyJSKXQUQGALNVLE-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.89
LogP ≤ 53.43
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 4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide?
The IUPAC name of 4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide (CID 172745948) is 4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide.
What is the SMILES notation for 4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide?
The canonical SMILES for 4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide is Br.FC(F)=C(F)CCBr.
What is the InChIKey of 4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide?
The InChIKey is JSKXQUQGALNVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrF3.BrH/c5-2-1-3(6)4(7)8;/h1-2H2;1H.
What are the key properties of 4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide?
4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide has a molecular weight of 269.89 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,1,2-trifluorobut-1-ene;hydrobromide is sourced from PubChem (CID 172745948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).