2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene

C14H10BrClF2O — CID 63438875

IUPAC2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene
SMILESCOc1ccc(Cl)cc1C(Br)c1cc(F)ccc1F
InChIInChI=1S/C14H10BrClF2O/c1-19-13-5-2-8(16)6-11(13)14(15)10-7-9(17)3-4-12(10)18/h2-7,14H,1H3
InChIKeyGPHGQUXPAUHOFU-UHFFFAOYSA-N
MW347.59 g/mol
LogP5.11
Rot. Bonds3

About 2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene

2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene (PubChem CID 63438875) has the molecular formula C14H10BrClF2O and a molecular weight of 347.59 g/mol. Its IUPAC name is 2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene
PubChem CID63438875
Molecular FormulaC14H10BrClF2O
Molecular Weight347.59 g/mol
Exact Mass345.96
IUPAC Name2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene
SMILESCOc1ccc(Cl)cc1C(Br)c1cc(F)ccc1F
InChIInChI=1S/C14H10BrClF2O/c1-19-13-5-2-8(16)6-11(13)14(15)10-7-9(17)3-4-12(10)18/h2-7,14H,1H3
InChIKeyGPHGQUXPAUHOFU-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

2-[bromo-(2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 61096891
1-[bromo-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-2,5-difluorobenzene
CID 104546466
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
1-bromo-4-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057458
2-bromo-1-[bromo-(5-chloro-2-methoxyphenyl)methyl]-3-fluorobenzene
CID 113425588
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63435329
2-[bromo-(4-fluoro-3-methylphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 63441261
5-[bromo-(5-fluoro-2-methoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63186895
2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 55199736
2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene
CID 63441083
1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene
CID 63435979
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene?
The IUPAC name of 2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene (CID 63438875) is 2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene is COc1ccc(Cl)cc1C(Br)c1cc(F)ccc1F.
What is the InChIKey of 2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene?
The InChIKey is GPHGQUXPAUHOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O/c1-19-13-5-2-8(16)6-11(13)14(15)10-7-9(17)3-4-12(10)18/h2-7,14H,1H3.
What are the key properties of 2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene?
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene 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 2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene is sourced from PubChem (CID 63438875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).