4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol

C9H8BrFO3 — CID 67440478

IUPAC4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol
SMILESOc1ccc(Br)c(C2OCCO2)c1F
InChIInChI=1S/C9H8BrFO3/c10-5-1-2-6(12)8(11)7(5)9-13-3-4-14-9/h1-2,9,12H,3-4H2
InChIKeyJQPWCDJOPMVDAH-UHFFFAOYSA-N
MW263.06 g/mol
LogP2.34
Rot. Bonds1

About 4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol

4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol (PubChem CID 67440478) has the molecular formula C9H8BrFO3 and a molecular weight of 263.06 g/mol. Its IUPAC name is 4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol
PubChem CID67440478
Molecular FormulaC9H8BrFO3
Molecular Weight263.06 g/mol
Exact Mass261.96
IUPAC Name4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol
SMILESOc1ccc(Br)c(C2OCCO2)c1F
InChIInChI=1S/C9H8BrFO3/c10-5-1-2-6(12)8(11)7(5)9-13-3-4-14-9/h1-2,9,12H,3-4H2
InChIKeyJQPWCDJOPMVDAH-UHFFFAOYSA-N
XLogP2.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol?
The IUPAC name of 4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol (CID 67440478) is 4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol.
What is the SMILES notation for 4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol?
The canonical SMILES for 4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol is Oc1ccc(Br)c(C2OCCO2)c1F.
What is the InChIKey of 4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol?
The InChIKey is JQPWCDJOPMVDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO3/c10-5-1-2-6(12)8(11)7(5)9-13-3-4-14-9/h1-2,9,12H,3-4H2.
What are the key properties of 4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol?
4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol has a molecular weight of 263.06 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(1,3-dioxolan-2-yl)-2-fluorophenol is sourced from PubChem (CID 67440478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).