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

C15H12Br2F2O — CID 103396584

IUPAC1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cc(F)c(Br)cc1C(Br)c1cc(C)ccc1F
InChIInChI=1S/C15H12Br2F2O/c1-8-3-4-12(18)9(5-8)15(17)10-6-11(16)13(19)7-14(10)20-2/h3-7,15H,1-2H3
InChIKeyVXQURNIOANETNG-UHFFFAOYSA-N
MW406.06 g/mol
LogP5.53
Rot. Bonds3

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

1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene (PubChem CID 103396584) has the molecular formula C15H12Br2F2O and a molecular weight of 406.06 g/mol. Its IUPAC name is 1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
PubChem CID103396584
Molecular FormulaC15H12Br2F2O
Molecular Weight406.06 g/mol
Exact Mass403.92
IUPAC Name1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cc(F)c(Br)cc1C(Br)c1cc(C)ccc1F
InChIInChI=1S/C15H12Br2F2O/c1-8-3-4-12(18)9(5-8)15(17)10-6-11(16)13(19)7-14(10)20-2/h3-7,15H,1-2H3
InChIKeyVXQURNIOANETNG-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.06
LogP ≤ 55.53
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-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 107992301
2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene
CID 63443769
1-[bromo-(2,5-dimethylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 63447999
1-bromo-5-[bromo-(2,6-difluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396481
1-bromo-4-[bromo-(2-methoxy-5-methylphenyl)methyl]-2-fluorobenzene
CID 63443676
1-bromo-4-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057458
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971
1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396388
1-bromo-5-[bromo-(2,3-dichlorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396411
(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 105056543
1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65434153

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene (CID 103396584) is 1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene is COc1cc(F)c(Br)cc1C(Br)c1cc(C)ccc1F.
What is the InChIKey of 1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene?
The InChIKey is VXQURNIOANETNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2F2O/c1-8-3-4-12(18)9(5-8)15(17)10-6-11(16)13(19)7-14(10)20-2/h3-7,15H,1-2H3.
What are the key properties of 1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene?
1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene has a molecular weight of 406.06 g/mol, XLogP of 5.53, 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-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 103396584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).