2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane

C10H10BrFO2 — CID 83232877

IUPAC2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane
SMILESCC1(COc2ccc(F)c(Br)c2)CO1
InChIInChI=1S/C10H10BrFO2/c1-10(6-14-10)5-13-7-2-3-9(12)8(11)4-7/h2-4H,5-6H2,1H3
InChIKeyURYMLKFEXXBXQX-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.76
Rot. Bonds3

About 2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane

2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane (PubChem CID 83232877) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane
PubChem CID83232877
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane
SMILESCC1(COc2ccc(F)c(Br)c2)CO1
InChIInChI=1S/C10H10BrFO2/c1-10(6-14-10)5-13-7-2-3-9(12)8(11)4-7/h2-4H,5-6H2,1H3
InChIKeyURYMLKFEXXBXQX-UHFFFAOYSA-N
XLogP2.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane?
The IUPAC name of 2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane (CID 83232877) is 2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane?
The canonical SMILES for 2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane is CC1(COc2ccc(F)c(Br)c2)CO1.
What is the InChIKey of 2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane?
The InChIKey is URYMLKFEXXBXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-10(6-14-10)5-13-7-2-3-9(12)8(11)4-7/h2-4H,5-6H2,1H3.
What are the key properties of 2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane?
2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane has a molecular weight of 261.09 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorophenoxy)methyl]-2-methyloxirane is sourced from PubChem (CID 83232877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).