1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene

C13H7BrClF3 — CID 63430531

IUPAC1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene
SMILESFc1cc(Br)cc(C(Cl)c2cc(F)ccc2F)c1
InChIInChI=1S/C13H7BrClF3/c14-8-3-7(4-10(17)5-8)13(15)11-6-9(16)1-2-12(11)18/h1-6,13H
InChIKeyKZCMZUPHEWQUBR-UHFFFAOYSA-N
MW335.55 g/mol
LogP5.19
Rot. Bonds2

About 1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene

1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene (PubChem CID 63430531) has the molecular formula C13H7BrClF3 and a molecular weight of 335.55 g/mol. Its IUPAC name is 1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene
PubChem CID63430531
Molecular FormulaC13H7BrClF3
Molecular Weight335.55 g/mol
Exact Mass333.94
IUPAC Name1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene
SMILESFc1cc(Br)cc(C(Cl)c2cc(F)ccc2F)c1
InChIInChI=1S/C13H7BrClF3/c14-8-3-7(4-10(17)5-8)13(15)11-6-9(16)1-2-12(11)18/h1-6,13H
InChIKeyKZCMZUPHEWQUBR-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'}

Analyze 1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene
CID 63444025
(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol
CID 61101647
2-[(3-bromo-5-fluorophenyl)-chloromethyl]-1,3,5-trifluorobenzene
CID 63430505
1-bromo-2-[chloro-(3,4-difluorophenyl)methyl]-4-fluorobenzene
CID 55200230
1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 114020376
1-[chloro-(3,5-dibromophenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 114023654
1-bromo-3-[chloro-(4-propan-2-ylphenyl)methyl]-5-fluorobenzene
CID 63434558
1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene
CID 107959015
3-[chloro-(2,5-difluorophenyl)methyl]thiophene
CID 61085350
1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
CID 63429945
1-bromo-2-[(3-bromo-5-fluorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432255
1-[(3-bromophenyl)-chloromethyl]-2,4-difluorobenzene
CID 63433564

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene?
The IUPAC name of 1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene (CID 63430531) is 1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene.
What is the SMILES notation for 1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene?
The canonical SMILES for 1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene is Fc1cc(Br)cc(C(Cl)c2cc(F)ccc2F)c1.
What is the InChIKey of 1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene?
The InChIKey is KZCMZUPHEWQUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3/c14-8-3-7(4-10(17)5-8)13(15)11-6-9(16)1-2-12(11)18/h1-6,13H.
What are the key properties of 1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene?
1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-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-(2,5-difluorophenyl)methyl]-5-fluorobenzene is sourced from PubChem (CID 63430531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).