4-bromo-2-(ethoxymethoxy)-1-fluorobenzene

C9H10BrFO2 — CID 114672897

IUPAC4-bromo-2-(ethoxymethoxy)-1-fluorobenzene
SMILESCCOCOc1cc(Br)ccc1F
InChIInChI=1S/C9H10BrFO2/c1-2-12-6-13-9-5-7(10)3-4-8(9)11/h3-5H,2,6H2,1H3
InChIKeyBYWHOQYDERLIFN-UHFFFAOYSA-N
MW249.08 g/mol
LogP2.96
Rot. Bonds4

About 4-bromo-2-(ethoxymethoxy)-1-fluorobenzene

4-bromo-2-(ethoxymethoxy)-1-fluorobenzene (PubChem CID 114672897) has the molecular formula C9H10BrFO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is 4-bromo-2-(ethoxymethoxy)-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-(ethoxymethoxy)-1-fluorobenzene
PubChem CID114672897
Molecular FormulaC9H10BrFO2
Molecular Weight249.08 g/mol
Exact Mass247.98
IUPAC Name4-bromo-2-(ethoxymethoxy)-1-fluorobenzene
SMILESCCOCOc1cc(Br)ccc1F
InChIInChI=1S/C9H10BrFO2/c1-2-12-6-13-9-5-7(10)3-4-8(9)11/h3-5H,2,6H2,1H3
InChIKeyBYWHOQYDERLIFN-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-(2-butoxyethoxy)-1-fluorobenzene
CID 115919154
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236
4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802
4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene
CID 114672615
4-(3-chloroprop-1-ynyl)-2-(ethoxymethoxy)-1-fluorobenzene
CID 114675452
4-bromo-2-(3,3-dimethylbutoxy)-1-fluorobenzene
CID 114672544
1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol
CID 65369644
2-(5-bromo-2-fluorophenoxy)acetaldehyde
CID 114674078
2-bromo-6-(ethoxymethoxy)naphthalene
CID 65369248
1-[5-bromo-2-(ethoxymethoxy)phenyl]propan-2-amine
CID 65369215
4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 114672951

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(ethoxymethoxy)-1-fluorobenzene?
The IUPAC name of 4-bromo-2-(ethoxymethoxy)-1-fluorobenzene (CID 114672897) is 4-bromo-2-(ethoxymethoxy)-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-(ethoxymethoxy)-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-(ethoxymethoxy)-1-fluorobenzene is CCOCOc1cc(Br)ccc1F.
What is the InChIKey of 4-bromo-2-(ethoxymethoxy)-1-fluorobenzene?
The InChIKey is BYWHOQYDERLIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO2/c1-2-12-6-13-9-5-7(10)3-4-8(9)11/h3-5H,2,6H2,1H3.
What are the key properties of 4-bromo-2-(ethoxymethoxy)-1-fluorobenzene?
4-bromo-2-(ethoxymethoxy)-1-fluorobenzene has a molecular weight of 249.08 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(ethoxymethoxy)-1-fluorobenzene is sourced from PubChem (CID 114672897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).