1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene

C14H10Br3FO — CID 63435979

IUPAC1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene
SMILESCOc1ccc(Br)cc1C(Br)c1cc(F)ccc1Br
InChIInChI=1S/C14H10Br3FO/c1-19-13-5-2-8(15)6-11(13)14(17)10-7-9(18)3-4-12(10)16/h2-7,14H,1H3
InChIKeyVJRWYHNOZIFEST-UHFFFAOYSA-N
MW452.94 g/mol
LogP5.84
Rot. Bonds3

About 1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene

1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene (PubChem CID 63435979) has the molecular formula C14H10Br3FO and a molecular weight of 452.94 g/mol. Its IUPAC name is 1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene
PubChem CID63435979
Molecular FormulaC14H10Br3FO
Molecular Weight452.94 g/mol
Exact Mass449.83
IUPAC Name1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene
SMILESCOc1ccc(Br)cc1C(Br)c1cc(F)ccc1Br
InChIInChI=1S/C14H10Br3FO/c1-19-13-5-2-8(15)6-11(13)14(17)10-7-9(18)3-4-12(10)16/h2-7,14H,1H3
InChIKeyVJRWYHNOZIFEST-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene 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

2,5-dibromo-3-[bromo-(5-fluoro-2-methoxyphenyl)methyl]thiophene
CID 107964679
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 63438875
1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
CID 63438155
1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63443408
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461531
1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene
CID 114374882
5-[bromo-(5-fluoro-2-methoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63186895
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene
CID 63435485
3-[bromo-(5-fluoro-2-methoxyphenyl)methyl]-4-methylthiophene
CID 79807936
1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene
CID 63437855
2-[bromo-(2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 61096891
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63427282

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene (CID 63435979) is 1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene is COc1ccc(Br)cc1C(Br)c1cc(F)ccc1Br.
What is the InChIKey of 1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene?
The InChIKey is VJRWYHNOZIFEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3FO/c1-19-13-5-2-8(15)6-11(13)14(17)10-7-9(18)3-4-12(10)16/h2-7,14H,1H3.
What are the key properties of 1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene?
1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene has a molecular weight of 452.94 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 63435979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).