1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene

C14H10Br2ClFO — CID 107958819

IUPAC1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene
SMILESCOc1ccc(C(Br)c2cc(Cl)cc(Br)c2)cc1F
InChIInChI=1S/C14H10Br2ClFO/c1-19-13-3-2-8(6-12(13)18)14(16)9-4-10(15)7-11(17)5-9/h2-7,14H,1H3
InChIKeyGLNAARNIBLIYKA-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.73
Rot. Bonds3

About 1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene

1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene (PubChem CID 107958819) has the molecular formula C14H10Br2ClFO and a molecular weight of 408.49 g/mol. Its IUPAC name is 1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene.

Molecular Properties

Compound Name1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene
PubChem CID107958819
Molecular FormulaC14H10Br2ClFO
Molecular Weight408.49 g/mol
Exact Mass405.88
IUPAC Name1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene
SMILESCOc1ccc(C(Br)c2cc(Cl)cc(Br)c2)cc1F
InChIInChI=1S/C14H10Br2ClFO/c1-19-13-3-2-8(6-12(13)18)14(16)9-4-10(15)7-11(17)5-9/h2-7,14H,1H3
InChIKeyGLNAARNIBLIYKA-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.73
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-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene
CID 107957792
[(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 107948201
1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 107947341
4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene
CID 61097600
1,3-dibromo-5-[bromo-(3,4-dimethoxyphenyl)methyl]benzene
CID 107980871
1-bromo-3-[bromo-(3,4-dimethoxyphenyl)methyl]-5-fluorobenzene
CID 63439209
5-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440402
1-bromo-4-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-fluorobenzene
CID 63439016
4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene
CID 81285176
1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene
CID 107959180
5-[bromo-(3-bromo-4-methoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63435205
4-[bromo-(3-chloro-4-fluorophenyl)methyl]-1-methoxy-2-methylbenzene
CID 82878606

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene?
The IUPAC name of 1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene (CID 107958819) is 1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene.
What is the SMILES notation for 1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene?
The canonical SMILES for 1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene is COc1ccc(C(Br)c2cc(Cl)cc(Br)c2)cc1F.
What is the InChIKey of 1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene?
The InChIKey is GLNAARNIBLIYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClFO/c1-19-13-3-2-8(6-12(13)18)14(16)9-4-10(15)7-11(17)5-9/h2-7,14H,1H3.
What are the key properties of 1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene?
1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene has a molecular weight of 408.49 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene is sourced from PubChem (CID 107958819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).