1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene

C14H9BrCl2F2 — CID 107959015

IUPAC1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene
SMILESCc1cc(F)c(C(Cl)c2cc(Cl)cc(Br)c2)cc1F
InChIInChI=1S/C14H9BrCl2F2/c1-7-2-13(19)11(6-12(7)18)14(17)8-3-9(15)5-10(16)4-8/h2-6,14H,1H3
InChIKeyDIDXZSFMHXZBMJ-UHFFFAOYSA-N
MW366.03 g/mol
LogP6.02
Rot. Bonds2

About 1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene

1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene (PubChem CID 107959015) has the molecular formula C14H9BrCl2F2 and a molecular weight of 366.03 g/mol. Its IUPAC name is 1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene
PubChem CID107959015
Molecular FormulaC14H9BrCl2F2
Molecular Weight366.03 g/mol
Exact Mass363.92
IUPAC Name1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene
SMILESCc1cc(F)c(C(Cl)c2cc(Cl)cc(Br)c2)cc1F
InChIInChI=1S/C14H9BrCl2F2/c1-7-2-13(19)11(6-12(7)18)14(17)8-3-9(15)5-10(16)4-8/h2-6,14H,1H3
InChIKeyDIDXZSFMHXZBMJ-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.03
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene 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-[chloro-(3,5-dibromophenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 114023654
1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050504
1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304052
3-[(3-bromo-5-chlorophenyl)-chloromethyl]-1,2,4,5-tetramethylbenzene
CID 107955917
1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene
CID 63430531
1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79731389
1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 114020376
(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 114019265
1-[(5-bromo-2-iodophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene
CID 114033442
1-[(3-bromo-4-methylphenyl)-chloromethyl]-2,4-difluoro-5-methylbenzene
CID 81476007
1-bromo-3-[(4-bromophenyl)-chloromethyl]-5-chlorobenzene
CID 107955839
[(3-bromo-5-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 107948189

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene?
The IUPAC name of 1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene (CID 107959015) is 1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene?
The canonical SMILES for 1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene is Cc1cc(F)c(C(Cl)c2cc(Cl)cc(Br)c2)cc1F.
What is the InChIKey of 1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene?
The InChIKey is DIDXZSFMHXZBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2F2/c1-7-2-13(19)11(6-12(7)18)14(17)8-3-9(15)5-10(16)4-8/h2-6,14H,1H3.
What are the key properties of 1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene?
1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene has a molecular weight of 366.03 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene is sourced from PubChem (CID 107959015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).