1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane

C4Br2Cl4F4 — CID 15606516

IUPAC1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane
SMILESFC(F)(Br)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)Br
InChIInChI=1S/C4Br2Cl4F4/c5-3(11,12)1(7,8)2(9,10)4(6,13)14
InChIKeyPQVVWIGINPNVNL-UHFFFAOYSA-N
MW425.66 g/mol
LogP5.31
Rot. Bonds3

About 1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane

1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane (PubChem CID 15606516) has the molecular formula C4Br2Cl4F4 and a molecular weight of 425.66 g/mol. Its IUPAC name is 1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane.

Molecular Properties

Compound Name1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane
PubChem CID15606516
Molecular FormulaC4Br2Cl4F4
Molecular Weight425.66 g/mol
Exact Mass421.71
IUPAC Name1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane
SMILESFC(F)(Br)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)Br
InChIInChI=1S/C4Br2Cl4F4/c5-3(11,12)1(7,8)2(9,10)4(6,13)14
InChIKeyPQVVWIGINPNVNL-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.66
LogP ≤ 55.31
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 1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane?
The IUPAC name of 1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane (CID 15606516) is 1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane.
What is the SMILES notation for 1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane?
The canonical SMILES for 1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane is FC(F)(Br)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)Br.
What is the InChIKey of 1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane?
The InChIKey is PQVVWIGINPNVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Br2Cl4F4/c5-3(11,12)1(7,8)2(9,10)4(6,13)14.
What are the key properties of 1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane?
1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane has a molecular weight of 425.66 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane is sourced from PubChem (CID 15606516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).