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

C4Br3Cl3F4 — CID 175096085

IUPAC1,2,4-tribromo-1,2,3-trichloro-1,3,4,4-tetrafluorobutane
SMILESFC(F)(Br)C(F)(Cl)C(Cl)(Br)C(F)(Cl)Br
InChIInChI=1S/C4Br3Cl3F4/c5-1(8,3(6,10)12)2(9,11)4(7,13)14
InChIKeyBZORCSFYEQYINZ-UHFFFAOYSA-N
MW470.11 g/mol
LogP5.47
Rot. Bonds3

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

1,2,4-tribromo-1,2,3-trichloro-1,3,4,4-tetrafluorobutane (PubChem CID 175096085) has the molecular formula C4Br3Cl3F4 and a molecular weight of 470.11 g/mol. Its IUPAC name is 1,2,4-tribromo-1,2,3-trichloro-1,3,4,4-tetrafluorobutane.

Molecular Properties

Compound Name1,2,4-tribromo-1,2,3-trichloro-1,3,4,4-tetrafluorobutane
PubChem CID175096085
Molecular FormulaC4Br3Cl3F4
Molecular Weight470.11 g/mol
Exact Mass465.66
IUPAC Name1,2,4-tribromo-1,2,3-trichloro-1,3,4,4-tetrafluorobutane
SMILESFC(F)(Br)C(F)(Cl)C(Cl)(Br)C(F)(Cl)Br
InChIInChI=1S/C4Br3Cl3F4/c5-1(8,3(6,10)12)2(9,11)4(7,13)14
InChIKeyBZORCSFYEQYINZ-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.11
LogP ≤ 55.47
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-1,2,3-trichloro-1,3,4,4-tetrafluorobutane?
The IUPAC name of 1,2,4-tribromo-1,2,3-trichloro-1,3,4,4-tetrafluorobutane (CID 175096085) is 1,2,4-tribromo-1,2,3-trichloro-1,3,4,4-tetrafluorobutane.
What is the SMILES notation for 1,2,4-tribromo-1,2,3-trichloro-1,3,4,4-tetrafluorobutane?
The canonical SMILES for 1,2,4-tribromo-1,2,3-trichloro-1,3,4,4-tetrafluorobutane is FC(F)(Br)C(F)(Cl)C(Cl)(Br)C(F)(Cl)Br.
What is the InChIKey of 1,2,4-tribromo-1,2,3-trichloro-1,3,4,4-tetrafluorobutane?
The InChIKey is BZORCSFYEQYINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Br3Cl3F4/c5-1(8,3(6,10)12)2(9,11)4(7,13)14.
What are the key properties of 1,2,4-tribromo-1,2,3-trichloro-1,3,4,4-tetrafluorobutane?
1,2,4-tribromo-1,2,3-trichloro-1,3,4,4-tetrafluorobutane has a molecular weight of 470.11 g/mol, XLogP of 5.47, 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-1,2,3-trichloro-1,3,4,4-tetrafluorobutane is sourced from PubChem (CID 175096085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).