2-(4-bromo-3-fluoro-2-methylphenoxy)oxane

C12H14BrFO2 — CID 67249012

IUPAC2-(4-bromo-3-fluoro-2-methylphenoxy)oxane
SMILESCc1c(OC2CCCCO2)ccc(Br)c1F
InChIInChI=1S/C12H14BrFO2/c1-8-10(6-5-9(13)12(8)14)16-11-4-2-3-7-15-11/h5-6,11H,2-4,7H2,1H3
InChIKeyFSUDJWLFFXKJCN-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.80
Rot. Bonds2

About 2-(4-bromo-3-fluoro-2-methylphenoxy)oxane

2-(4-bromo-3-fluoro-2-methylphenoxy)oxane (PubChem CID 67249012) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is 2-(4-bromo-3-fluoro-2-methylphenoxy)oxane.

Molecular Properties

Compound Name2-(4-bromo-3-fluoro-2-methylphenoxy)oxane
PubChem CID67249012
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name2-(4-bromo-3-fluoro-2-methylphenoxy)oxane
SMILESCc1c(OC2CCCCO2)ccc(Br)c1F
InChIInChI=1S/C12H14BrFO2/c1-8-10(6-5-9(13)12(8)14)16-11-4-2-3-7-15-11/h5-6,11H,2-4,7H2,1H3
InChIKeyFSUDJWLFFXKJCN-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluoro-2-methylphenoxy)oxane?
The IUPAC name of 2-(4-bromo-3-fluoro-2-methylphenoxy)oxane (CID 67249012) is 2-(4-bromo-3-fluoro-2-methylphenoxy)oxane.
What is the SMILES notation for 2-(4-bromo-3-fluoro-2-methylphenoxy)oxane?
The canonical SMILES for 2-(4-bromo-3-fluoro-2-methylphenoxy)oxane is Cc1c(OC2CCCCO2)ccc(Br)c1F.
What is the InChIKey of 2-(4-bromo-3-fluoro-2-methylphenoxy)oxane?
The InChIKey is FSUDJWLFFXKJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c1-8-10(6-5-9(13)12(8)14)16-11-4-2-3-7-15-11/h5-6,11H,2-4,7H2,1H3.
What are the key properties of 2-(4-bromo-3-fluoro-2-methylphenoxy)oxane?
2-(4-bromo-3-fluoro-2-methylphenoxy)oxane has a molecular weight of 289.14 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluoro-2-methylphenoxy)oxane is sourced from PubChem (CID 67249012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).