1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene

C15H22BrFO4 — CID 104565575

IUPAC1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene
SMILESCOCCOCCOCCOC(CBr)c1ccc(F)cc1
InChIInChI=1S/C15H22BrFO4/c1-18-6-7-19-8-9-20-10-11-21-15(12-16)13-2-4-14(17)5-3-13/h2-5,15H,6-12H2,1H3
InChIKeyASRSBAVPFKLCCV-UHFFFAOYSA-N
MW365.24 g/mol
LogP2.96
Rot. Bonds12

About 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene

1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene (PubChem CID 104565575) has the molecular formula C15H22BrFO4 and a molecular weight of 365.24 g/mol. Its IUPAC name is 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene
PubChem CID104565575
Molecular FormulaC15H22BrFO4
Molecular Weight365.24 g/mol
Exact Mass364.07
IUPAC Name1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene
SMILESCOCCOCCOCCOC(CBr)c1ccc(F)cc1
InChIInChI=1S/C15H22BrFO4/c1-18-6-7-19-8-9-20-10-11-21-15(12-16)13-2-4-14(17)5-3-13/h2-5,15H,6-12H2,1H3
InChIKeyASRSBAVPFKLCCV-UHFFFAOYSA-N
XLogP2.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-bromo-1-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylbenzene
CID 113427330
1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene
CID 104565572
1-[2-bromo-1-(2-propoxyethoxy)ethyl]-4-methylbenzene
CID 63684889
1-[2-bromo-1-(4,4,4-trifluorobutoxy)ethyl]-4-fluorobenzene
CID 82791919
1-fluoro-4-[2-iodo-1-(2-propoxyethoxy)ethyl]benzene
CID 114774140
1-[2-bromo-1-[3-(2-methoxyethoxy)propoxy]ethyl]-3-chlorobenzene
CID 103405049
1-(4-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401203
1-[2-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzene
CID 114775095
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966
2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62107169
1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104561982
ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 143926197

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene?
The IUPAC name of 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene (CID 104565575) is 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene.
What is the SMILES notation for 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene?
The canonical SMILES for 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene is COCCOCCOCCOC(CBr)c1ccc(F)cc1.
What is the InChIKey of 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene?
The InChIKey is ASRSBAVPFKLCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFO4/c1-18-6-7-19-8-9-20-10-11-21-15(12-16)13-2-4-14(17)5-3-13/h2-5,15H,6-12H2,1H3.
What are the key properties of 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene?
1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene has a molecular weight of 365.24 g/mol, XLogP of 2.96, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene is sourced from PubChem (CID 104565575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).