1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane

C7BrF11 — CID 23235262

IUPAC1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane
SMILESFC1(F)C(F)(F)C2(Br)C(F)(F)C(F)(F)C1(F)C2(F)F
InChIInChI=1S/C7BrF11/c8-1-3(10,11)2(9,6(16,17)4(1,12)13)7(18,19)5(1,14)15
InChIKeyTWGVSTOVWVKKDK-UHFFFAOYSA-N
MW372.96 g/mol
LogP4.03
Rot. Bonds

About 1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane

1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane (PubChem CID 23235262) has the molecular formula C7BrF11 and a molecular weight of 372.96 g/mol. Its IUPAC name is 1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane
PubChem CID23235262
Molecular FormulaC7BrF11
Molecular Weight372.96 g/mol
Exact Mass371.90
IUPAC Name1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane
SMILESFC1(F)C(F)(F)C2(Br)C(F)(F)C(F)(F)C1(F)C2(F)F
InChIInChI=1S/C7BrF11/c8-1-3(10,11)2(9,6(16,17)4(1,12)13)7(18,19)5(1,14)15
InChIKeyTWGVSTOVWVKKDK-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.96
LogP ≤ 54.03
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

1,4-Dibromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane
CID 23235260
1-Bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane
CID 23235261

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane?
The IUPAC name of 1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane (CID 23235262) is 1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane.
What is the SMILES notation for 1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane?
The canonical SMILES for 1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane is FC1(F)C(F)(F)C2(Br)C(F)(F)C(F)(F)C1(F)C2(F)F.
What is the InChIKey of 1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane?
The InChIKey is TWGVSTOVWVKKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7BrF11/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-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane?
1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane has a molecular weight of 372.96 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane is sourced from PubChem (CID 23235262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).