3-(3-bromo-4-fluorophenoxy)oxane

C11H12BrFO2 — CID 107134793

IUPAC3-(3-bromo-4-fluorophenoxy)oxane
SMILESFc1ccc(OC2CCCOC2)cc1Br
InChIInChI=1S/C11H12BrFO2/c12-10-6-8(3-4-11(10)13)15-9-2-1-5-14-7-9/h3-4,6,9H,1-2,5,7H2
InChIKeyVJYNTBYQJWTOBG-UHFFFAOYSA-N
MW275.12 g/mol
LogP3.15
Rot. Bonds2

About 3-(3-bromo-4-fluorophenoxy)oxane

3-(3-bromo-4-fluorophenoxy)oxane (PubChem CID 107134793) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenoxy)oxane.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenoxy)oxane
PubChem CID107134793
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name3-(3-bromo-4-fluorophenoxy)oxane
SMILESFc1ccc(OC2CCCOC2)cc1Br
InChIInChI=1S/C11H12BrFO2/c12-10-6-8(3-4-11(10)13)15-9-2-1-5-14-7-9/h3-4,6,9H,1-2,5,7H2
InChIKeyVJYNTBYQJWTOBG-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-3-methylphenoxy)oxane
CID 107137923
(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
CID 170235553
9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane
CID 83231233
4-(3-bromo-4-fluorophenoxy)piperidine
CID 83235035
2-fluoro-5-(oxan-3-yloxy)pyridine
CID 107138049
1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine
CID 107137326
(3S)-3-(3-bromo-4-fluorophenoxy)pyrrolidine
CID 83234121
(3R)-3-(4-bromo-3-methylphenoxy)oxolane
CID 138986690
N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107134487
2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 83234151
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933
3-(5-bromo-2-fluorophenoxy)oxolane
CID 114672573

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenoxy)oxane?
The IUPAC name of 3-(3-bromo-4-fluorophenoxy)oxane (CID 107134793) is 3-(3-bromo-4-fluorophenoxy)oxane.
What is the SMILES notation for 3-(3-bromo-4-fluorophenoxy)oxane?
The canonical SMILES for 3-(3-bromo-4-fluorophenoxy)oxane is Fc1ccc(OC2CCCOC2)cc1Br.
What is the InChIKey of 3-(3-bromo-4-fluorophenoxy)oxane?
The InChIKey is VJYNTBYQJWTOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c12-10-6-8(3-4-11(10)13)15-9-2-1-5-14-7-9/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 3-(3-bromo-4-fluorophenoxy)oxane?
3-(3-bromo-4-fluorophenoxy)oxane has a molecular weight of 275.12 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenoxy)oxane is sourced from PubChem (CID 107134793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).