2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene

C12H16BrFO3 — CID 104564389

IUPAC2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
SMILESCOCCOCCOCc1ccc(F)cc1Br
InChIInChI=1S/C12H16BrFO3/c1-15-4-5-16-6-7-17-9-10-2-3-11(14)8-12(10)13/h2-3,8H,4-7,9H2,1H3
InChIKeySLCNSBUWCNTHLR-UHFFFAOYSA-N
MW307.16 g/mol
LogP2.77
Rot. Bonds8

About 2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene

2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene (PubChem CID 104564389) has the molecular formula C12H16BrFO3 and a molecular weight of 307.16 g/mol. Its IUPAC name is 2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene.

Molecular Properties

Compound Name2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
PubChem CID104564389
Molecular FormulaC12H16BrFO3
Molecular Weight307.16 g/mol
Exact Mass306.03
IUPAC Name2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
SMILESCOCCOCCOCc1ccc(F)cc1Br
InChIInChI=1S/C12H16BrFO3/c1-15-4-5-16-6-7-17-9-10-2-3-11(14)8-12(10)13/h2-3,8H,4-7,9H2,1H3
InChIKeySLCNSBUWCNTHLR-UHFFFAOYSA-N
XLogP2.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 58214144
1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 134128519
2-bromo-1-(3,3-dimethylbutoxymethyl)-4-fluorobenzene
CID 66225152
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
2-bromo-4-fluoro-1-(4,4,4-trifluorobutoxymethyl)benzene
CID 82787646
3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 104564489
5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 76994379
[3-bromo-4-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103181139
N-[[3-bromo-4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]ethanamine
CID 103406158
(E)-3-[5-fluoro-2-(2-methoxyethoxymethyl)phenyl]prop-2-enoic acid
CID 94233123
1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene
CID 11845573
1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102928014

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene?
The IUPAC name of 2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene (CID 104564389) is 2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene.
What is the SMILES notation for 2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene?
The canonical SMILES for 2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene is COCCOCCOCc1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene?
The InChIKey is SLCNSBUWCNTHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFO3/c1-15-4-5-16-6-7-17-9-10-2-3-11(14)8-12(10)13/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene?
2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene has a molecular weight of 307.16 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene is sourced from PubChem (CID 104564389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).