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

C7HBrF10 — CID 23235261

IUPAC1-bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane
SMILESFC1(F)C2C(F)(F)C(F)(F)C(Br)(C2(F)F)C1(F)F
InChIInChI=1S/C7HBrF10/c8-5-2(9,10)1(3(11,12)6(5,15)16)4(13,14)7(5,17)18/h1H
InChIKeyDZWIKQHQBQPBLL-UHFFFAOYSA-N
MW354.97 g/mol
LogP3.94
Rot. Bonds

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

1-bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane (PubChem CID 23235261) has the molecular formula C7HBrF10 and a molecular weight of 354.97 g/mol. Its IUPAC name is 1-bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane
PubChem CID23235261
Molecular FormulaC7HBrF10
Molecular Weight354.97 g/mol
Exact Mass353.91
IUPAC Name1-bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane
SMILESFC1(F)C2C(F)(F)C(F)(F)C(Br)(C2(F)F)C1(F)F
InChIInChI=1S/C7HBrF10/c8-5-2(9,10)1(3(11,12)6(5,15)16)4(13,14)7(5,17)18/h1H
InChIKeyDZWIKQHQBQPBLL-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.97
LogP ≤ 53.94
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'}

Analyze 1-bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane?
The IUPAC name of 1-bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane (CID 23235261) is 1-bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane.
What is the SMILES notation for 1-bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane?
The canonical SMILES for 1-bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane is FC1(F)C2C(F)(F)C(F)(F)C(Br)(C2(F)F)C1(F)F.
What is the InChIKey of 1-bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane?
The InChIKey is DZWIKQHQBQPBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBrF10/c8-5-2(9,10)1(3(11,12)6(5,15)16)4(13,14)7(5,17)18/h1H.
What are the key properties of 1-bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane?
1-bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane has a molecular weight of 354.97 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,2,3,3,5,5,6,6,7,7-decafluorobicyclo[2.2.1]heptane is sourced from PubChem (CID 23235261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).