2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene]

C15H10BrClO2 — CID 177084529

IUPAC2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene]
SMILESClc1cc(Br)cc2c1-c1ccccc1C21OCCO1
InChIInChI=1S/C15H10BrClO2/c16-9-7-12-14(13(17)8-9)10-3-1-2-4-11(10)15(12)18-5-6-19-15/h1-4,7-8H,5-6H2
InChIKeyJPRIWCJKIDZSPY-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.33
Rot. Bonds

About 2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene]

2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene] (PubChem CID 177084529) has the molecular formula C15H10BrClO2 and a molecular weight of 337.60 g/mol. Its IUPAC name is 2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene].

Molecular Properties

Compound Name2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene]
PubChem CID177084529
Molecular FormulaC15H10BrClO2
Molecular Weight337.60 g/mol
Exact Mass335.96
IUPAC Name2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene]
SMILESClc1cc(Br)cc2c1-c1ccccc1C21OCCO1
InChIInChI=1S/C15H10BrClO2/c16-9-7-12-14(13(17)8-9)10-3-1-2-4-11(10)15(12)18-5-6-19-15/h1-4,7-8H,5-6H2
InChIKeyJPRIWCJKIDZSPY-UHFFFAOYSA-N
XLogP4.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene]?
The IUPAC name of 2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene] (CID 177084529) is 2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene].
What is the SMILES notation for 2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene]?
The canonical SMILES for 2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene] is Clc1cc(Br)cc2c1-c1ccccc1C21OCCO1.
What is the InChIKey of 2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene]?
The InChIKey is JPRIWCJKIDZSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClO2/c16-9-7-12-14(13(17)8-9)10-3-1-2-4-11(10)15(12)18-5-6-19-15/h1-4,7-8H,5-6H2.
What are the key properties of 2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene]?
2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene] has a molecular weight of 337.60 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-4'-chlorospiro[1,3-dioxolane-2,9'-fluorene] is sourced from PubChem (CID 177084529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).