1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene

C14H9Br2ClF2O — CID 103396331

IUPAC1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cc(F)c(Br)cc1C(Cl)c1c(F)cccc1Br
InChIInChI=1S/C14H9Br2ClF2O/c1-20-12-6-11(19)9(16)5-7(12)14(17)13-8(15)3-2-4-10(13)18/h2-6,14H,1H3
InChIKeyRUDNKGJCYJXTAE-UHFFFAOYSA-N
MW426.48 g/mol
LogP5.83
Rot. Bonds3

About 1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene

1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene (PubChem CID 103396331) has the molecular formula C14H9Br2ClF2O and a molecular weight of 426.48 g/mol. Its IUPAC name is 1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene
PubChem CID103396331
Molecular FormulaC14H9Br2ClF2O
Molecular Weight426.48 g/mol
Exact Mass423.87
IUPAC Name1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cc(F)c(Br)cc1C(Cl)c1c(F)cccc1Br
InChIInChI=1S/C14H9Br2ClF2O/c1-20-12-6-11(19)9(16)5-7(12)14(17)13-8(15)3-2-4-10(13)18/h2-6,14H,1H3
InChIKeyRUDNKGJCYJXTAE-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 55.83
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-bromo-5-[chloro-(2,4,6-trifluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396173
1-bromo-5-[bromo-(2,6-difluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396481
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120
1-bromo-5-[chloro-(2,3-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396266
1-bromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene
CID 103396203
2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 65434058
3-[(5-bromo-4-fluoro-2-methoxyphenyl)-chloromethyl]-1-benzothiophene
CID 103396201
1-[(2-bromo-6-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 114560686
1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396388
5-bromo-3-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-methylthiophene
CID 114560698
1-bromo-5-(1-chloro-2-methyl-2-phenylpropyl)-2-fluoro-4-methoxybenzene
CID 103396341
1-bromo-5-[bromo-(2,3-dichlorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396411

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene (CID 103396331) is 1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene is COc1cc(F)c(Br)cc1C(Cl)c1c(F)cccc1Br.
What is the InChIKey of 1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene?
The InChIKey is RUDNKGJCYJXTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClF2O/c1-20-12-6-11(19)9(16)5-7(12)14(17)13-8(15)3-2-4-10(13)18/h2-6,14H,1H3.
What are the key properties of 1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene?
1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene has a molecular weight of 426.48 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 103396331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).