1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene

C14H10BrF3O — CID 65434254

IUPAC1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene
SMILESCOc1cccc(F)c1C(Br)c1ccc(F)cc1F
InChIInChI=1S/C14H10BrF3O/c1-19-12-4-2-3-10(17)13(12)14(15)9-6-5-8(16)7-11(9)18/h2-7,14H,1H3
InChIKeyNRFHSNAIIQLJMI-UHFFFAOYSA-N
MW331.13 g/mol
LogP4.60
Rot. Bonds3

About 1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene

1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene (PubChem CID 65434254) has the molecular formula C14H10BrF3O and a molecular weight of 331.13 g/mol. Its IUPAC name is 1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene
PubChem CID65434254
Molecular FormulaC14H10BrF3O
Molecular Weight331.13 g/mol
Exact Mass329.99
IUPAC Name1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene
SMILESCOc1cccc(F)c1C(Br)c1ccc(F)cc1F
InChIInChI=1S/C14H10BrF3O/c1-19-12-4-2-3-10(17)13(12)14(15)9-6-5-8(16)7-11(9)18/h2-7,14H,1H3
InChIKeyNRFHSNAIIQLJMI-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 54.60
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

2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65432324
2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene
CID 65433099
(2,4-difluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 61087351
1-bromo-5-[bromo-(2,6-difluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396481
2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 65434058
1-[bromo-(2,6-dimethoxyphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477523
1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65434153
2-[bromo-(4-propan-2-ylphenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65432906
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
[(2-fluoro-6-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105252432
2-[bromo-(2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 61096891
(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838561

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene?
The IUPAC name of 1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene (CID 65434254) is 1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene is COc1cccc(F)c1C(Br)c1ccc(F)cc1F.
What is the InChIKey of 1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene?
The InChIKey is NRFHSNAIIQLJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O/c1-19-12-4-2-3-10(17)13(12)14(15)9-6-5-8(16)7-11(9)18/h2-7,14H,1H3.
What are the key properties of 1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene?
1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene has a molecular weight of 331.13 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene is sourced from PubChem (CID 65434254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).