1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene

C14H10Br3FO — CID 103396388

IUPAC1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cc(F)c(Br)cc1C(Br)c1cccc(Br)c1
InChIInChI=1S/C14H10Br3FO/c1-19-13-7-12(18)11(16)6-10(13)14(17)8-3-2-4-9(15)5-8/h2-7,14H,1H3
InChIKeyFOKNDXKCQQGLGC-UHFFFAOYSA-N
MW452.94 g/mol
LogP5.84
Rot. Bonds3

About 1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene

1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene (PubChem CID 103396388) has the molecular formula C14H10Br3FO and a molecular weight of 452.94 g/mol. Its IUPAC name is 1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene
PubChem CID103396388
Molecular FormulaC14H10Br3FO
Molecular Weight452.94 g/mol
Exact Mass449.83
IUPAC Name1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cc(F)c(Br)cc1C(Br)c1cccc(Br)c1
InChIInChI=1S/C14H10Br3FO/c1-19-13-7-12(18)11(16)6-10(13)14(17)8-3-2-4-9(15)5-8/h2-7,14H,1H3
InChIKeyFOKNDXKCQQGLGC-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'}

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Related Compounds

1-bromo-5-[bromo-(3-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65432224
1-bromo-5-[bromo-(2,6-difluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396481
1-bromo-5-[bromo-(2,3-dichlorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396411
1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 107992301
1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396584
1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene
CID 63440568
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120
1-bromo-5-[bromo-(5-chloro-2-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396538
1-bromo-5-(1-chloro-2-phenylbutyl)-2-fluoro-4-methoxybenzene
CID 103396168
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971
1-bromo-5-[1-bromo-2-(3-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103396441
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol
CID 103396069

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene (CID 103396388) is 1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene is COc1cc(F)c(Br)cc1C(Br)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene?
The InChIKey is FOKNDXKCQQGLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3FO/c1-19-13-7-12(18)11(16)6-10(13)14(17)8-3-2-4-9(15)5-8/h2-7,14H,1H3.
What are the key properties of 1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene?
1-bromo-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene 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-5-[bromo-(3-bromophenyl)methyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 103396388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).