1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene

C14H11BrClF — CID 63437001

IUPAC1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene
SMILESCc1ccc(C(Br)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H11BrClF/c1-9-2-4-10(5-3-9)14(15)12-7-6-11(16)8-13(12)17/h2-8,14H,1H3
InChIKeyFCMBBLYZNKTMFG-UHFFFAOYSA-N
MW313.60 g/mol
LogP5.27
Rot. Bonds2

About 1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene

1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene (PubChem CID 63437001) has the molecular formula C14H11BrClF and a molecular weight of 313.60 g/mol. Its IUPAC name is 1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene
PubChem CID63437001
Molecular FormulaC14H11BrClF
Molecular Weight313.60 g/mol
Exact Mass311.97
IUPAC Name1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene
SMILESCc1ccc(C(Br)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H11BrClF/c1-9-2-4-10(5-3-9)14(15)12-7-6-11(16)8-13(12)17/h2-8,14H,1H3
InChIKeyFCMBBLYZNKTMFG-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.60
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-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-(4-methylphenyl)methyl]-2,4-difluorobenzene
CID 63437391
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-4-chloro-2-methylbenzene
CID 114028122
1-[bromo-(4-fluorophenyl)methyl]-2-chloro-4-methylbenzene
CID 106862999
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-methylbenzene
CID 106863207
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55199902
4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene
CID 174572103
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene
CID 81324147
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 81324965
7-[bromo-(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63436931
1-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)ethanol
CID 63016785

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene?
The IUPAC name of 1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene (CID 63437001) is 1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene is Cc1ccc(C(Br)c2ccc(Cl)cc2F)cc1.
What is the InChIKey of 1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene?
The InChIKey is FCMBBLYZNKTMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF/c1-9-2-4-10(5-3-9)14(15)12-7-6-11(16)8-13(12)17/h2-8,14H,1H3.
What are the key properties of 1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene?
1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene has a molecular weight of 313.60 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene is sourced from PubChem (CID 63437001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).