2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane

C12H14BrFO2 — CID 86696073

IUPAC2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane
SMILESCCCc1ccc(Br)c(C2OCCO2)c1F
InChIInChI=1S/C12H14BrFO2/c1-2-3-8-4-5-9(13)10(11(8)14)12-15-6-7-16-12/h4-5,12H,2-3,6-7H2,1H3
InChIKeyXSVPQABVUJBTNL-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.59
Rot. Bonds3

About 2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane

2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane (PubChem CID 86696073) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is 2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane
PubChem CID86696073
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane
SMILESCCCc1ccc(Br)c(C2OCCO2)c1F
InChIInChI=1S/C12H14BrFO2/c1-2-3-8-4-5-9(13)10(11(8)14)12-15-6-7-16-12/h4-5,12H,2-3,6-7H2,1H3
InChIKeyXSVPQABVUJBTNL-UHFFFAOYSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane (CID 86696073) is 2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane is CCCc1ccc(Br)c(C2OCCO2)c1F.
What is the InChIKey of 2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane?
The InChIKey is XSVPQABVUJBTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c1-2-3-8-4-5-9(13)10(11(8)14)12-15-6-7-16-12/h4-5,12H,2-3,6-7H2,1H3.
What are the key properties of 2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane?
2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane has a molecular weight of 289.14 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-fluoro-3-propylphenyl)-1,3-dioxolane is sourced from PubChem (CID 86696073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).