1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene

C15H13BrClFO — CID 63933659

IUPAC1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene
SMILESFc1ccccc1COC(CBr)c1ccccc1Cl
InChIInChI=1S/C15H13BrClFO/c16-9-15(12-6-2-3-7-13(12)17)19-10-11-5-1-4-8-14(11)18/h1-8,15H,9-10H2
InChIKeyOPOLQQAINCITDV-UHFFFAOYSA-N
MW343.62 g/mol
LogP5.13
Rot. Bonds5

About 1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene

1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene (PubChem CID 63933659) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene
PubChem CID63933659
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene
SMILESFc1ccccc1COC(CBr)c1ccccc1Cl
InChIInChI=1S/C15H13BrClFO/c16-9-15(12-6-2-3-7-13(12)17)19-10-11-5-1-4-8-14(11)18/h1-8,15H,9-10H2
InChIKeyOPOLQQAINCITDV-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.62
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-bromo-1-[(2-fluorophenyl)methoxy]ethyl]-2-methoxybenzene
CID 63933657
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63934056
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methoxy]ethanamine
CID 55022331
1-[2-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-chlorobenzene
CID 102722925
1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene
CID 112589307
1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene
CID 63468434
1-[2-bromo-1-[2-(3-methoxypropoxy)ethoxy]ethyl]-2-chlorobenzene
CID 103180209
2-[(2-fluorophenyl)methoxy]-2-thiophen-2-ylethanamine
CID 63932814
2-(3-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63934471
2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane
CID 62107975
1-[3-bromo-2-(2-chlorophenyl)propyl]-2-fluoro-3-methoxybenzene
CID 104795547
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440

Frequently Asked Questions

What is the IUPAC name of 1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene?
The IUPAC name of 1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene (CID 63933659) is 1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene.
What is the SMILES notation for 1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene?
The canonical SMILES for 1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene is Fc1ccccc1COC(CBr)c1ccccc1Cl.
What is the InChIKey of 1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene?
The InChIKey is OPOLQQAINCITDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c16-9-15(12-6-2-3-7-13(12)17)19-10-11-5-1-4-8-14(11)18/h1-8,15H,9-10H2.
What are the key properties of 1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene?
1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene has a molecular weight of 343.62 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene is sourced from PubChem (CID 63933659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).