1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene

C14H10BrClF2O — CID 63443486

IUPAC1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C14H10BrClF2O/c1-19-9-3-4-10(11(16)7-9)14(15)8-2-5-12(17)13(18)6-8/h2-7,14H,1H3
InChIKeyDRYZUJMEQXXLSU-UHFFFAOYSA-N
MW347.59 g/mol
LogP5.11
Rot. Bonds3

About 1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene

1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene (PubChem CID 63443486) has the molecular formula C14H10BrClF2O and a molecular weight of 347.59 g/mol. Its IUPAC name is 1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene.

Molecular Properties

Compound Name1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene
PubChem CID63443486
Molecular FormulaC14H10BrClF2O
Molecular Weight347.59 g/mol
Exact Mass345.96
IUPAC Name1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C14H10BrClF2O/c1-19-9-3-4-10(11(16)7-9)14(15)8-2-5-12(17)13(18)6-8/h2-7,14H,1H3
InChIKeyDRYZUJMEQXXLSU-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 55.11
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-(4-fluoro-3-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63442538
1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443237
2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene
CID 63434674
1-[bromo-(4-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 55197646
1-[bromo-(4-methoxyphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477582
1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 81284508
1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene
CID 63442982
3-[bromo-(2-chloro-4-methoxyphenyl)methyl]thiophene
CID 61098604
1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050900
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
2-bromo-4-[bromo-(2-chloro-4-methoxyphenyl)methyl]thiophene
CID 107964733
2-[bromo-(3,4-difluorophenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63435376

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene?
The IUPAC name of 1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene (CID 63443486) is 1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene.
What is the SMILES notation for 1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene?
The canonical SMILES for 1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene is COc1ccc(C(Br)c2ccc(F)c(F)c2)c(Cl)c1.
What is the InChIKey of 1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene?
The InChIKey is DRYZUJMEQXXLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O/c1-19-9-3-4-10(11(16)7-9)14(15)8-2-5-12(17)13(18)6-8/h2-7,14H,1H3.
What are the key properties of 1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene?
1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene has a molecular weight of 347.59 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene is sourced from PubChem (CID 63443486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).