1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane

C7Br2F10 — CID 23235260

IUPAC1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane
SMILESFC1(F)C(F)(F)C2(Br)C(F)(F)C(F)(F)C1(Br)C2(F)F
InChIInChI=1S/C7Br2F10/c8-1-3(10,11)2(9,6(16,17)4(1,12)13)7(18,19)5(1,14)15
InChIKeyAUGUTQBUKPCGIX-UHFFFAOYSA-N
MW433.87 g/mol
LogP4.46
Rot. Bonds

About 1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane

1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane (PubChem CID 23235260) has the molecular formula C7Br2F10 and a molecular weight of 433.87 g/mol. Its IUPAC name is 1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane
PubChem CID23235260
Molecular FormulaC7Br2F10
Molecular Weight433.87 g/mol
Exact Mass431.82
IUPAC Name1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane
SMILESFC1(F)C(F)(F)C2(Br)C(F)(F)C(F)(F)C1(Br)C2(F)F
InChIInChI=1S/C7Br2F10/c8-1-3(10,11)2(9,6(16,17)4(1,12)13)7(18,19)5(1,14)15
InChIKeyAUGUTQBUKPCGIX-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.87
LogP ≤ 54.46
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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Related Compounds

1-Bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane
CID 23235262

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane?
The IUPAC name of 1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane (CID 23235260) is 1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane.
What is the SMILES notation for 1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane?
The canonical SMILES for 1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane is FC1(F)C(F)(F)C2(Br)C(F)(F)C(F)(F)C1(Br)C2(F)F.
What is the InChIKey of 1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane?
The InChIKey is AUGUTQBUKPCGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Br2F10/c8-1-3(10,11)2(9,6(16,17)4(1,12)13)7(18,19)5(1,14)15.
What are the key properties of 1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane?
1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane has a molecular weight of 433.87 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane is sourced from PubChem (CID 23235260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).