2-(5-bromo-2-fluorophenyl)-1,3-dioxolane

C9H8BrFO2 — CID 18455585

IUPAC2-(5-bromo-2-fluorophenyl)-1,3-dioxolane
SMILESFc1ccc(Br)cc1C1OCCO1
InChIInChI=1S/C9H8BrFO2/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKeyWWJNPWYIXIIEJG-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.63
Rot. Bonds1

About 2-(5-bromo-2-fluorophenyl)-1,3-dioxolane

2-(5-bromo-2-fluorophenyl)-1,3-dioxolane (PubChem CID 18455585) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1,3-dioxolane
PubChem CID18455585
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Name2-(5-bromo-2-fluorophenyl)-1,3-dioxolane
SMILESFc1ccc(Br)cc1C1OCCO1
InChIInChI=1S/C9H8BrFO2/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKeyWWJNPWYIXIIEJG-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1,3-dioxolane?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1,3-dioxolane (CID 18455585) is 2-(5-bromo-2-fluorophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1,3-dioxolane is Fc1ccc(Br)cc1C1OCCO1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1,3-dioxolane?
The InChIKey is WWJNPWYIXIIEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-2,5,9H,3-4H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1,3-dioxolane?
2-(5-bromo-2-fluorophenyl)-1,3-dioxolane has a molecular weight of 247.06 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1,3-dioxolane is sourced from PubChem (CID 18455585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).