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

C14H10Br2F2O — CID 63443408

IUPAC1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene
SMILESCOc1ccc(C(Br)c2cc(F)ccc2Br)c(F)c1
InChIInChI=1S/C14H10Br2F2O/c1-19-9-3-4-10(13(18)7-9)14(16)11-6-8(17)2-5-12(11)15/h2-7,14H,1H3
InChIKeyARANCYBLXLRSEV-UHFFFAOYSA-N
MW392.04 g/mol
LogP5.22
Rot. Bonds3

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

1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene (PubChem CID 63443408) has the molecular formula C14H10Br2F2O and a molecular weight of 392.04 g/mol. Its IUPAC name is 1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene
PubChem CID63443408
Molecular FormulaC14H10Br2F2O
Molecular Weight392.04 g/mol
Exact Mass389.91
IUPAC Name1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene
SMILESCOc1ccc(C(Br)c2cc(F)ccc2Br)c(F)c1
InChIInChI=1S/C14H10Br2F2O/c1-19-9-3-4-10(13(18)7-9)14(16)11-6-8(17)2-5-12(11)15/h2-7,14H,1H3
InChIKeyARANCYBLXLRSEV-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.04
LogP ≤ 55.22
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-2-[bromo-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63442403
1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene
CID 63433665
(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197258
1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene
CID 63435979
1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65434153
1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443159
1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443200
1-(2-bromo-5-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482821
1-bromo-4-[bromo-(2,4-dimethoxyphenyl)methyl]-2-chloro-5-fluorobenzene
CID 105400059
1-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-chloro-2,5-dimethylbenzene
CID 102884625
(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine
CID 105396903
1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 63443286

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene (CID 63443408) is 1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene is COc1ccc(C(Br)c2cc(F)ccc2Br)c(F)c1.
What is the InChIKey of 1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene?
The InChIKey is ARANCYBLXLRSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F2O/c1-19-9-3-4-10(13(18)7-9)14(16)11-6-8(17)2-5-12(11)15/h2-7,14H,1H3.
What are the key properties of 1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene?
1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene has a molecular weight of 392.04 g/mol, XLogP of 5.22, 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-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 63443408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).