2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene

C14H10BrF2IO — CID 63434807

IUPAC2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene
SMILESCOc1cc(F)c(C(Br)c2ccccc2I)c(F)c1
InChIInChI=1S/C14H10BrF2IO/c1-19-8-6-10(16)13(11(17)7-8)14(15)9-4-2-3-5-12(9)18/h2-7,14H,1H3
InChIKeyAWDWKXXLIIPLIR-UHFFFAOYSA-N
MW439.04 g/mol
LogP5.06
Rot. Bonds3

About 2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene

2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene (PubChem CID 63434807) has the molecular formula C14H10BrF2IO and a molecular weight of 439.04 g/mol. Its IUPAC name is 2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene.

Molecular Properties

Compound Name2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene
PubChem CID63434807
Molecular FormulaC14H10BrF2IO
Molecular Weight439.04 g/mol
Exact Mass437.89
IUPAC Name2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene
SMILESCOc1cc(F)c(C(Br)c2ccccc2I)c(F)c1
InChIInChI=1S/C14H10BrF2IO/c1-19-8-6-10(16)13(11(17)7-8)14(15)9-4-2-3-5-12(9)18/h2-7,14H,1H3
InChIKeyAWDWKXXLIIPLIR-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.04
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443159
2-[bromo-(2-fluoro-3-methylphenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 81476978
2-[bromo-(2-ethoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63434940
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63435329
2-[bromo-(3-fluorophenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63435031
2-[bromo-(3,4-difluorophenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63435376
2-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 107957789
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880557
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61100473
2-[bromo-(2-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 61096492
2-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63435375
2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 61082122

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene?
The IUPAC name of 2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene (CID 63434807) is 2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene.
What is the SMILES notation for 2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene?
The canonical SMILES for 2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene is COc1cc(F)c(C(Br)c2ccccc2I)c(F)c1.
What is the InChIKey of 2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene?
The InChIKey is AWDWKXXLIIPLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2IO/c1-19-8-6-10(16)13(11(17)7-8)14(15)9-4-2-3-5-12(9)18/h2-7,14H,1H3.
What are the key properties of 2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene?
2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene has a molecular weight of 439.04 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene is sourced from PubChem (CID 63434807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).