3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane

C12H14BrFO2 — CID 63558670

IUPAC3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane
SMILESFc1ccc(C(CBr)OC2CCOC2)cc1
InChIInChI=1S/C12H14BrFO2/c13-7-12(16-11-5-6-15-8-11)9-1-3-10(14)4-2-9/h1-4,11-12H,5-8H2
InChIKeyMTNLMZXFEYPXER-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.07
Rot. Bonds4

About 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane

3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane (PubChem CID 63558670) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane.

Molecular Properties

Compound Name3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane
PubChem CID63558670
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane
SMILESFc1ccc(C(CBr)OC2CCOC2)cc1
InChIInChI=1S/C12H14BrFO2/c13-7-12(16-11-5-6-15-8-11)9-1-3-10(14)4-2-9/h1-4,11-12H,5-8H2
InChIKeyMTNLMZXFEYPXER-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-bromo-1-(4-fluorophenyl)ethoxy]oxane
CID 55035749
3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane
CID 102607679
2-(4-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine
CID 102605600
1-(4-fluorophenyl)-2-(oxolan-3-yloxy)ethanamine
CID 107523657
2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63558015
N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine
CID 62107691
3-[[1-(4-fluorophenyl)-2-iodoethoxy]methyl]oxolane
CID 114773800
3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane
CID 114774100
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
CID 118590561
N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine
CID 62108612
1-(4-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986410
oxolan-3-yl 4-fluorobenzoate
CID 63663417

Frequently Asked Questions

What is the IUPAC name of 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane?
The IUPAC name of 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane (CID 63558670) is 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane.
What is the SMILES notation for 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane?
The canonical SMILES for 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane is Fc1ccc(C(CBr)OC2CCOC2)cc1.
What is the InChIKey of 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane?
The InChIKey is MTNLMZXFEYPXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c13-7-12(16-11-5-6-15-8-11)9-1-3-10(14)4-2-9/h1-4,11-12H,5-8H2.
What are the key properties of 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane?
3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane has a molecular weight of 289.14 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxolane is sourced from PubChem (CID 63558670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).