1,3,4-tribromo-1,1,2,2-tetrafluorobutane

C4H3Br3F4 — CID 2776852

IUPAC1,3,4-tribromo-1,1,2,2-tetrafluorobutane
SMILESFC(F)(Br)C(F)(F)C(Br)CBr
InChIInChI=1S/C4H3Br3F4/c5-1-2(6)3(8,9)4(7,10)11/h2H,1H2
InChIKeyCUYGTVOLVMBWLF-UHFFFAOYSA-N
MW366.77 g/mol
LogP3.77
Rot. Bonds3

About 1,3,4-tribromo-1,1,2,2-tetrafluorobutane

1,3,4-tribromo-1,1,2,2-tetrafluorobutane (PubChem CID 2776852) has the molecular formula C4H3Br3F4 and a molecular weight of 366.77 g/mol. Its IUPAC name is 1,3,4-tribromo-1,1,2,2-tetrafluorobutane.

Molecular Properties

Compound Name1,3,4-tribromo-1,1,2,2-tetrafluorobutane
PubChem CID2776852
Molecular FormulaC4H3Br3F4
Molecular Weight366.77 g/mol
Exact Mass363.77
IUPAC Name1,3,4-tribromo-1,1,2,2-tetrafluorobutane
SMILESFC(F)(Br)C(F)(F)C(Br)CBr
InChIInChI=1S/C4H3Br3F4/c5-1-2(6)3(8,9)4(7,10)11/h2H,1H2
InChIKeyCUYGTVOLVMBWLF-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-tribromo-1,1,2,2-tetrafluorobutane?
The IUPAC name of 1,3,4-tribromo-1,1,2,2-tetrafluorobutane (CID 2776852) is 1,3,4-tribromo-1,1,2,2-tetrafluorobutane.
What is the SMILES notation for 1,3,4-tribromo-1,1,2,2-tetrafluorobutane?
The canonical SMILES for 1,3,4-tribromo-1,1,2,2-tetrafluorobutane is FC(F)(Br)C(F)(F)C(Br)CBr.
What is the InChIKey of 1,3,4-tribromo-1,1,2,2-tetrafluorobutane?
The InChIKey is CUYGTVOLVMBWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Br3F4/c5-1-2(6)3(8,9)4(7,10)11/h2H,1H2.
What are the key properties of 1,3,4-tribromo-1,1,2,2-tetrafluorobutane?
1,3,4-tribromo-1,1,2,2-tetrafluorobutane has a molecular weight of 366.77 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-tribromo-1,1,2,2-tetrafluorobutane is sourced from PubChem (CID 2776852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).