2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane

C9H7Br2FO2 — CID 156842053

IUPAC2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane
SMILESFc1cc(Br)c(C2OCCO2)c(Br)c1
InChIInChI=1S/C9H7Br2FO2/c10-6-3-5(12)4-7(11)8(6)9-13-1-2-14-9/h3-4,9H,1-2H2
InChIKeyQOEWUHUYQIYHJH-UHFFFAOYSA-N
MW325.96 g/mol
LogP3.40
Rot. Bonds1

About 2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane

2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane (PubChem CID 156842053) has the molecular formula C9H7Br2FO2 and a molecular weight of 325.96 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane
PubChem CID156842053
Molecular FormulaC9H7Br2FO2
Molecular Weight325.96 g/mol
Exact Mass323.88
IUPAC Name2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane
SMILESFc1cc(Br)c(C2OCCO2)c(Br)c1
InChIInChI=1S/C9H7Br2FO2/c10-6-3-5(12)4-7(11)8(6)9-13-1-2-14-9/h3-4,9H,1-2H2
InChIKeyQOEWUHUYQIYHJH-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.96
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-bromo-6-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 171367229
2-(6-bromo-3-chloro-2-fluorophenyl)-1,3-dioxolane
CID 155293758
5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene
CID 130935590
2-(2,6-difluorophenyl)-1,3-dioxolane
CID 10511746
2-(2,3-difluoro-6-iodophenyl)-1,3-dioxolane
CID 171367349
3-(1,3-dioxolan-2-yl)-2,4-difluorophenol
CID 21063809
2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 164512753
7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 171613740
5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine
CID 126576136
5-bromo-4-(1,3-dioxolan-2-yl)-1,3-benzodioxole
CID 118640946
2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane
CID 164894958
2-bromo-1,4-difluorobenzene;oxolane
CID 162146776

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane?
The IUPAC name of 2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane (CID 156842053) is 2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane is Fc1cc(Br)c(C2OCCO2)c(Br)c1.
What is the InChIKey of 2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane?
The InChIKey is QOEWUHUYQIYHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2FO2/c10-6-3-5(12)4-7(11)8(6)9-13-1-2-14-9/h3-4,9H,1-2H2.
What are the key properties of 2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane?
2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane has a molecular weight of 325.96 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane is sourced from PubChem (CID 156842053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).