2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene

C12H9Br2FOS — CID 112614060

IUPAC2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene
SMILESFc1cccc(CBr)c1OCc1ccc(Br)s1
InChIInChI=1S/C12H9Br2FOS/c13-6-8-2-1-3-10(15)12(8)16-7-9-4-5-11(14)17-9/h1-5H,6-7H2
InChIKeyMASIJLSWSFBCLD-UHFFFAOYSA-N
MW380.08 g/mol
LogP5.12
Rot. Bonds4

About 2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene

2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene (PubChem CID 112614060) has the molecular formula C12H9Br2FOS and a molecular weight of 380.08 g/mol. Its IUPAC name is 2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene
PubChem CID112614060
Molecular FormulaC12H9Br2FOS
Molecular Weight380.08 g/mol
Exact Mass377.87
IUPAC Name2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene
SMILESFc1cccc(CBr)c1OCc1ccc(Br)s1
InChIInChI=1S/C12H9Br2FOS/c13-6-8-2-1-3-10(15)12(8)16-7-9-4-5-11(14)17-9/h1-5H,6-7H2
InChIKeyMASIJLSWSFBCLD-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.08
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[[2-bromo-6-(bromomethyl)phenoxy]methyl]thiophene
CID 55224001
2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene
CID 63534198
2-bromo-5-[(2-fluorophenyl)methoxymethyl]thiophene
CID 63936755
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine
CID 112613976
[2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608155
1-(bromomethyl)-3-fluoro-2-(2,2,2-trifluoroethoxy)benzene
CID 112614053
2-[(5-bromo-2-methoxyphenyl)methoxy]-1-(bromomethyl)-3-fluorobenzene
CID 115956804
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 112614052
2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-5-chlorothiophene
CID 112614144
1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene
CID 112614047
1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 105372213
2-bromo-5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]thiophene
CID 104666392

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene?
The IUPAC name of 2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene (CID 112614060) is 2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene?
The canonical SMILES for 2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene is Fc1cccc(CBr)c1OCc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene?
The InChIKey is MASIJLSWSFBCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FOS/c13-6-8-2-1-3-10(15)12(8)16-7-9-4-5-11(14)17-9/h1-5H,6-7H2.
What are the key properties of 2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene?
2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene has a molecular weight of 380.08 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene is sourced from PubChem (CID 112614060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).