2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane

C13H16BrFO2 — CID 65161375

IUPAC2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane
SMILESFc1ccc(OCCCC2CCCO2)c(Br)c1
InChIInChI=1S/C13H16BrFO2/c14-12-9-10(15)5-6-13(12)17-8-2-4-11-3-1-7-16-11/h5-6,9,11H,1-4,7-8H2
InChIKeyMRYRNRQPEFQURB-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.93
Rot. Bonds5

About 2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane

2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane (PubChem CID 65161375) has the molecular formula C13H16BrFO2 and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane.

Molecular Properties

Compound Name2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane
PubChem CID65161375
Molecular FormulaC13H16BrFO2
Molecular Weight303.17 g/mol
Exact Mass302.03
IUPAC Name2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane
SMILESFc1ccc(OCCCC2CCCO2)c(Br)c1
InChIInChI=1S/C13H16BrFO2/c14-12-9-10(15)5-6-13(12)17-8-2-4-11-3-1-7-16-11/h5-6,9,11H,1-4,7-8H2
InChIKeyMRYRNRQPEFQURB-UHFFFAOYSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 107694623
2-[3-(4-bromo-2-methylphenoxy)propyl]oxolane
CID 65161593
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
CID 65161378
5-bromo-4-fluoro-2-[3-(oxolan-2-yl)propoxy]aniline
CID 103482872
5-bromo-2-[3-(oxolan-2-yl)propoxy]benzenecarbothioamide
CID 83146040
2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane
CID 107691831
N-[(2-bromo-4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 60766476
N-[[5-bromo-2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158825
(1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158458
2-[3-[4-(bromomethyl)-2-ethoxyphenoxy]propyl]oxolane
CID 65163140
2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 102975818
N-[2-(2-bromo-4-fluorophenoxy)ethyl]oxan-4-amine
CID 63098308

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane?
The IUPAC name of 2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane (CID 65161375) is 2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane.
What is the SMILES notation for 2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane?
The canonical SMILES for 2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane is Fc1ccc(OCCCC2CCCO2)c(Br)c1.
What is the InChIKey of 2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane?
The InChIKey is MRYRNRQPEFQURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO2/c14-12-9-10(15)5-6-13(12)17-8-2-4-11-3-1-7-16-11/h5-6,9,11H,1-4,7-8H2.
What are the key properties of 2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane?
2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane has a molecular weight of 303.17 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane is sourced from PubChem (CID 65161375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).