1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene

C14H9Br3ClFO — CID 107992301

IUPAC1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cc(F)c(Br)cc1C(Br)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H9Br3ClFO/c1-20-13-6-12(19)11(16)5-9(13)14(17)8-3-2-7(18)4-10(8)15/h2-6,14H,1H3
InChIKeyCVWUATJGQBFEJO-UHFFFAOYSA-N
MW487.39 g/mol
LogP6.50
Rot. Bonds3

About 1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene

1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene (PubChem CID 107992301) has the molecular formula C14H9Br3ClFO and a molecular weight of 487.39 g/mol. Its IUPAC name is 1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene
PubChem CID107992301
Molecular FormulaC14H9Br3ClFO
Molecular Weight487.39 g/mol
Exact Mass483.79
IUPAC Name1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cc(F)c(Br)cc1C(Br)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H9Br3ClFO/c1-20-13-6-12(19)11(16)5-9(13)14(17)8-3-2-7(18)4-10(8)15/h2-6,14H,1H3
InChIKeyCVWUATJGQBFEJO-UHFFFAOYSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.39
LogP ≤ 56.50
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-[bromo-(5-chloro-2-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396538
1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396584
1-bromo-5-[bromo-(2,3-dichlorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396411
1-bromo-4-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057458
1-bromo-5-[bromo-(2,6-difluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396481
2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene
CID 114024894
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene
CID 63435485
1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396388
1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65434153
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene
CID 107991463
(5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 103394434
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene (CID 107992301) is 1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene is COc1cc(F)c(Br)cc1C(Br)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene?
The InChIKey is CVWUATJGQBFEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br3ClFO/c1-20-13-6-12(19)11(16)5-9(13)14(17)8-3-2-7(18)4-10(8)15/h2-6,14H,1H3.
What are the key properties of 1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene?
1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene has a molecular weight of 487.39 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 107992301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).