5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene]

C13H12BrFO2 — CID 169122691

IUPAC5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene]
SMILESFc1cc(Br)cc2c1C1CC2CC12OCCO2
InChIInChI=1S/C13H12BrFO2/c14-8-4-9-7-3-10(12(9)11(15)5-8)13(6-7)16-1-2-17-13/h4-5,7,10H,1-3,6H2
InChIKeyWBSDJXLFVXIVKX-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.31
Rot. Bonds

About 5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene]

5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene] (PubChem CID 169122691) has the molecular formula C13H12BrFO2 and a molecular weight of 299.14 g/mol. Its IUPAC name is 5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene].

Molecular Properties

Compound Name5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene]
PubChem CID169122691
Molecular FormulaC13H12BrFO2
Molecular Weight299.14 g/mol
Exact Mass298.00
IUPAC Name5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene]
SMILESFc1cc(Br)cc2c1C1CC2CC12OCCO2
InChIInChI=1S/C13H12BrFO2/c14-8-4-9-7-3-10(12(9)11(15)5-8)13(6-7)16-1-2-17-13/h4-5,7,10H,1-3,6H2
InChIKeyWBSDJXLFVXIVKX-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene] 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

6'-Bromo-8'-fluoro-spiro[1,3-dioxolane-2,2'-tetralin]
CID 155103668
4-Bromo-6-fluorotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-ol
CID 169122676
5-Bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]
CID 67818499

Frequently Asked Questions

What is the IUPAC name of 5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene]?
The IUPAC name of 5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene] (CID 169122691) is 5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene].
What is the SMILES notation for 5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene]?
The canonical SMILES for 5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene] is Fc1cc(Br)cc2c1C1CC2CC12OCCO2.
What is the InChIKey of 5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene]?
The InChIKey is WBSDJXLFVXIVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFO2/c14-8-4-9-7-3-10(12(9)11(15)5-8)13(6-7)16-1-2-17-13/h4-5,7,10H,1-3,6H2.
What are the key properties of 5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene]?
5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene] has a molecular weight of 299.14 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromo-3'-fluorospiro[1,3-dioxolane-2,10'-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene] is sourced from PubChem (CID 169122691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).