1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane

C6Br2F10 — CID 71412615

IUPAC1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane
SMILESFC1(F)C(F)(F)C(F)(Br)C(F)(F)C(F)(F)C1(F)Br
InChIInChI=1S/C6Br2F10/c7-1(9)3(11,12)5(15,16)2(8,10)6(17,18)4(1,13)14
InChIKeyVKVNTKOKEQGVIC-UHFFFAOYSA-N
MW421.85 g/mol
LogP4.66
Rot. Bonds

About 1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane

1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane (PubChem CID 71412615) has the molecular formula C6Br2F10 and a molecular weight of 421.85 g/mol. Its IUPAC name is 1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane.

Molecular Properties

Compound Name1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane
PubChem CID71412615
Molecular FormulaC6Br2F10
Molecular Weight421.85 g/mol
Exact Mass419.82
IUPAC Name1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane
SMILESFC1(F)C(F)(F)C(F)(Br)C(F)(F)C(F)(F)C1(F)Br
InChIInChI=1S/C6Br2F10/c7-1(9)3(11,12)5(15,16)2(8,10)6(17,18)4(1,13)14
InChIKeyVKVNTKOKEQGVIC-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.85
LogP ≤ 54.66
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 1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane?
The IUPAC name of 1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane (CID 71412615) is 1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane.
What is the SMILES notation for 1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane?
The canonical SMILES for 1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane is FC1(F)C(F)(F)C(F)(Br)C(F)(F)C(F)(F)C1(F)Br.
What is the InChIKey of 1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane?
The InChIKey is VKVNTKOKEQGVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Br2F10/c7-1(9)3(11,12)5(15,16)2(8,10)6(17,18)4(1,13)14.
What are the key properties of 1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane?
1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane has a molecular weight of 421.85 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane is sourced from PubChem (CID 71412615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).