1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane

C4Br2Cl2F6 — CID 2773961

IUPAC1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane
SMILESFC(F)(Cl)C(F)(Br)C(F)(F)C(F)(Cl)Br
InChIInChI=1S/C4Br2Cl2F6/c5-1(9,4(8,13)14)2(10,11)3(6,7)12
InChIKeyCNQPZAGOLNLMLO-UHFFFAOYSA-N
MW392.75 g/mol
LogP4.77
Rot. Bonds3

About 1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane

1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane (PubChem CID 2773961) has the molecular formula C4Br2Cl2F6 and a molecular weight of 392.75 g/mol. Its IUPAC name is 1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane.

Molecular Properties

Compound Name1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane
PubChem CID2773961
Molecular FormulaC4Br2Cl2F6
Molecular Weight392.75 g/mol
Exact Mass389.76
IUPAC Name1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane
SMILESFC(F)(Cl)C(F)(Br)C(F)(F)C(F)(Cl)Br
InChIInChI=1S/C4Br2Cl2F6/c5-1(9,4(8,13)14)2(10,11)3(6,7)12
InChIKeyCNQPZAGOLNLMLO-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.75
LogP ≤ 54.77
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 1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane?
The IUPAC name of 1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane (CID 2773961) is 1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane.
What is the SMILES notation for 1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane?
The canonical SMILES for 1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane is FC(F)(Cl)C(F)(Br)C(F)(F)C(F)(Cl)Br.
What is the InChIKey of 1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane?
The InChIKey is CNQPZAGOLNLMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Br2Cl2F6/c5-1(9,4(8,13)14)2(10,11)3(6,7)12.
What are the key properties of 1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane?
1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane has a molecular weight of 392.75 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane is sourced from PubChem (CID 2773961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).