1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene

C15H13BrClF — CID 113396989

IUPAC1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
SMILESCc1cc(C(Cl)Cc2ccccc2F)ccc1Br
InChIInChI=1S/C15H13BrClF/c1-10-8-11(6-7-13(10)16)14(17)9-12-4-2-3-5-15(12)18/h2-8,14H,9H2,1H3
InChIKeyRFNMBHRAHNARTA-UHFFFAOYSA-N
MW327.62 g/mol
LogP5.42
Rot. Bonds3

About 1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene

1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene (PubChem CID 113396989) has the molecular formula C15H13BrClF and a molecular weight of 327.62 g/mol. Its IUPAC name is 1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
PubChem CID113396989
Molecular FormulaC15H13BrClF
Molecular Weight327.62 g/mol
Exact Mass325.99
IUPAC Name1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
SMILESCc1cc(C(Cl)Cc2ccccc2F)ccc1Br
InChIInChI=1S/C15H13BrClF/c1-10-8-11(6-7-13(10)16)14(17)9-12-4-2-3-5-15(12)18/h2-8,14H,9H2,1H3
InChIKeyRFNMBHRAHNARTA-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.62
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-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-bromo-4-[1-chloro-2-(2,3-difluorophenyl)ethyl]-2-methylbenzene
CID 113396998
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene
CID 115354476
1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396019
2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene
CID 79996776
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 63434643
4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran
CID 114822972
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene
CID 55223503
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653147
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 105032643
2-bromo-4-[1-chloro-2-(2,6-difluorophenyl)ethyl]-1-methylbenzene
CID 81487710
4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63543003

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene?
The IUPAC name of 1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene (CID 113396989) is 1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene.
What is the SMILES notation for 1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene?
The canonical SMILES for 1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene is Cc1cc(C(Cl)Cc2ccccc2F)ccc1Br.
What is the InChIKey of 1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene?
The InChIKey is RFNMBHRAHNARTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF/c1-10-8-11(6-7-13(10)16)14(17)9-12-4-2-3-5-15(12)18/h2-8,14H,9H2,1H3.
What are the key properties of 1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene?
1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene has a molecular weight of 327.62 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene is sourced from PubChem (CID 113396989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).