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

C13H7BrClF3 — CID 107955921

IUPAC1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene
SMILESFc1ccc(C(Cl)c2cccc(Br)c2F)c(F)c1
InChIInChI=1S/C13H7BrClF3/c14-10-3-1-2-9(13(10)18)12(15)8-5-4-7(16)6-11(8)17/h1-6,12H
InChIKeyGQMHNAPFRXAIRN-UHFFFAOYSA-N
MW335.55 g/mol
LogP5.19
Rot. Bonds2

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

1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene (PubChem CID 107955921) has the molecular formula C13H7BrClF3 and a molecular weight of 335.55 g/mol. Its IUPAC name is 1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene
PubChem CID107955921
Molecular FormulaC13H7BrClF3
Molecular Weight335.55 g/mol
Exact Mass333.94
IUPAC Name1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene
SMILESFc1ccc(C(Cl)c2cccc(Br)c2F)c(F)c1
InChIInChI=1S/C13H7BrClF3/c14-10-3-1-2-9(13(10)18)12(15)8-5-4-7(16)6-11(8)17/h1-6,12H
InChIKeyGQMHNAPFRXAIRN-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-[(2-bromo-4-fluorophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433476
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
1-bromo-2-[chloro-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63433650
1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 79756723
1-[(3-bromophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433564
3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107955043
2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan
CID 106855486
1-[(3-bromo-2-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 114020868
1-[(3-bromo-2-fluorophenyl)-chloromethyl]-2,3,4,5,6-pentamethylbenzene
CID 107955880
1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol
CID 106645063
1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene
CID 106646503
1-[(3-bromo-2-fluorophenyl)-chloromethyl]-2,5-dichloro-4-methoxybenzene
CID 107959110

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene?
The IUPAC name of 1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene (CID 107955921) is 1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene is Fc1ccc(C(Cl)c2cccc(Br)c2F)c(F)c1.
What is the InChIKey of 1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene?
The InChIKey is GQMHNAPFRXAIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3/c14-10-3-1-2-9(13(10)18)12(15)8-5-4-7(16)6-11(8)17/h1-6,12H.
What are the key properties of 1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene?
1-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene 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-bromo-3-[chloro-(2,4-difluorophenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 107955921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).