1,2,4-tribromo-1,1,2-trifluorobutane

C4H4Br3F3 — CID 2778192

IUPAC1,2,4-tribromo-1,1,2-trifluorobutane
SMILESFC(F)(Br)C(F)(Br)CCBr
InChIInChI=1S/C4H4Br3F3/c5-2-1-3(6,8)4(7,9)10/h1-2H2
InChIKeyYRQSISPSGIETOP-UHFFFAOYSA-N
MW348.78 g/mol
LogP3.82
Rot. Bonds3

About 1,2,4-tribromo-1,1,2-trifluorobutane

1,2,4-tribromo-1,1,2-trifluorobutane (PubChem CID 2778192) has the molecular formula C4H4Br3F3 and a molecular weight of 348.78 g/mol. Its IUPAC name is 1,2,4-tribromo-1,1,2-trifluorobutane.

Molecular Properties

Compound Name1,2,4-tribromo-1,1,2-trifluorobutane
PubChem CID2778192
Molecular FormulaC4H4Br3F3
Molecular Weight348.78 g/mol
Exact Mass345.78
IUPAC Name1,2,4-tribromo-1,1,2-trifluorobutane
SMILESFC(F)(Br)C(F)(Br)CCBr
InChIInChI=1S/C4H4Br3F3/c5-2-1-3(6,8)4(7,9)10/h1-2H2
InChIKeyYRQSISPSGIETOP-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.78
LogP ≤ 53.82
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 1,2,4-tribromo-1,1,2-trifluorobutane?
The IUPAC name of 1,2,4-tribromo-1,1,2-trifluorobutane (CID 2778192) is 1,2,4-tribromo-1,1,2-trifluorobutane.
What is the SMILES notation for 1,2,4-tribromo-1,1,2-trifluorobutane?
The canonical SMILES for 1,2,4-tribromo-1,1,2-trifluorobutane is FC(F)(Br)C(F)(Br)CCBr.
What is the InChIKey of 1,2,4-tribromo-1,1,2-trifluorobutane?
The InChIKey is YRQSISPSGIETOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Br3F3/c5-2-1-3(6,8)4(7,9)10/h1-2H2.
What are the key properties of 1,2,4-tribromo-1,1,2-trifluorobutane?
1,2,4-tribromo-1,1,2-trifluorobutane has a molecular weight of 348.78 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tribromo-1,1,2-trifluorobutane is sourced from PubChem (CID 2778192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).