1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene

C13H7BrClF3 — CID 63433476

IUPAC1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(F)cc2Br)c(F)c1
InChIInChI=1S/C13H7BrClF3/c14-11-5-7(16)1-3-9(11)13(15)10-4-2-8(17)6-12(10)18/h1-6,13H
InChIKeyBAYBWTANDVTXNQ-UHFFFAOYSA-N
MW335.55 g/mol
LogP5.19
Rot. Bonds2

About 1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene

1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene (PubChem CID 63433476) has the molecular formula C13H7BrClF3 and a molecular weight of 335.55 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene
PubChem CID63433476
Molecular FormulaC13H7BrClF3
Molecular Weight335.55 g/mol
Exact Mass333.94
IUPAC Name1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(F)cc2Br)c(F)c1
InChIInChI=1S/C13H7BrClF3/c14-11-5-7(16)1-3-9(11)13(15)10-4-2-8(17)6-12(10)18/h1-6,13H
InChIKeyBAYBWTANDVTXNQ-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.55
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
1-bromo-2-[chloro-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63433650
1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene
CID 107955921
2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 55198340
2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan
CID 106855486
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81051365
1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 79756723
1-[(3-bromophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433564
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63433300
2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene
CID 107991413
1-[chloro-(5-chloro-2-iodophenyl)methyl]-2,4-difluorobenzene
CID 114030828
1-[chloro-(2,4-difluorophenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 62866237

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene (CID 63433476) is 1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene is Fc1ccc(C(Cl)c2ccc(F)cc2Br)c(F)c1.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene?
The InChIKey is BAYBWTANDVTXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3/c14-11-5-7(16)1-3-9(11)13(15)10-4-2-8(17)6-12(10)18/h1-6,13H.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene?
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene has a molecular weight of 335.55 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene is sourced from PubChem (CID 63433476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).