4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene

C13H18BrFO2 — CID 19010737

IUPAC4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene
SMILESCCCCC(OCOC)c1ccc(Br)cc1F
InChIInChI=1S/C13H18BrFO2/c1-3-4-5-13(17-9-16-2)11-7-6-10(14)8-12(11)15/h6-8,13H,3-5,9H2,1-2H3
InChIKeyGDAQIXFWRJEUPY-UHFFFAOYSA-N
MW305.19 g/mol
LogP4.44
Rot. Bonds7

About 4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene

4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene (PubChem CID 19010737) has the molecular formula C13H18BrFO2 and a molecular weight of 305.19 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene
PubChem CID19010737
Molecular FormulaC13H18BrFO2
Molecular Weight305.19 g/mol
Exact Mass304.05
IUPAC Name4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene
SMILESCCCCC(OCOC)c1ccc(Br)cc1F
InChIInChI=1S/C13H18BrFO2/c1-3-4-5-13(17-9-16-2)11-7-6-10(14)8-12(11)15/h6-8,13H,3-5,9H2,1-2H3
InChIKeyGDAQIXFWRJEUPY-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-fluoro-1-nonan-5-ylbenzene
CID 178088907
1-(4-bromo-2-fluorophenyl)hexan-1-ol
CID 65148094
N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine
CID 82963081
1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine
CID 112693311
[1-(4-bromo-2-fluorophenyl)-3-ethylheptyl]hydrazine
CID 105280875
4-bromo-1,2-bis(1-methoxypropyl)benzene
CID 68654874
4-bromo-2-fluoro-1-(2-methylhexyl)benzene
CID 174421477
2-(4-bromo-2-fluorophenyl)hexan-3-amine
CID 83048380
1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine
CID 107893441
1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251
1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
CID 114906558
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene?
The IUPAC name of 4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene (CID 19010737) is 4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene?
The canonical SMILES for 4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene is CCCCC(OCOC)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene?
The InChIKey is GDAQIXFWRJEUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFO2/c1-3-4-5-13(17-9-16-2)11-7-6-10(14)8-12(11)15/h6-8,13H,3-5,9H2,1-2H3.
What are the key properties of 4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene?
4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene has a molecular weight of 305.19 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene is sourced from PubChem (CID 19010737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).