2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene

C14H9BrCl2F2 — CID 55225389

IUPAC2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
SMILESFc1ccc(C(Cl)Cc2c(F)cccc2Cl)c(Br)c1
InChIInChI=1S/C14H9BrCl2F2/c15-11-6-8(18)4-5-9(11)13(17)7-10-12(16)2-1-3-14(10)19/h1-6,13H,7H2
InChIKeyXNCZQBUDUNSTKE-UHFFFAOYSA-N
MW366.03 g/mol
LogP5.90
Rot. Bonds3

About 2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene

2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene (PubChem CID 55225389) has the molecular formula C14H9BrCl2F2 and a molecular weight of 366.03 g/mol. Its IUPAC name is 2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
PubChem CID55225389
Molecular FormulaC14H9BrCl2F2
Molecular Weight366.03 g/mol
Exact Mass363.92
IUPAC Name2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
SMILESFc1ccc(C(Cl)Cc2c(F)cccc2Cl)c(Br)c1
InChIInChI=1S/C14H9BrCl2F2/c15-11-6-8(18)4-5-9(11)13(17)7-10-12(16)2-1-3-14(10)19/h1-6,13H,7H2
InChIKeyXNCZQBUDUNSTKE-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.03
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-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

2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
CID 63518826
1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 61079951
1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene
CID 63430919
1-chloro-2-[2-chloro-2-(2-fluoro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63434219
1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115830230
1-chloro-2-[2-chloro-2-[2-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene
CID 63518476
1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene
CID 63444214
1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene
CID 81461552
1-chloro-2-[2-chloro-2-(2-iodo-3-methylphenyl)ethyl]-3-fluorobenzene
CID 114029596
[1-(2-bromo-4-methylphenyl)-2-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 105289027
2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63436939
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene?
The IUPAC name of 2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene (CID 55225389) is 2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene is Fc1ccc(C(Cl)Cc2c(F)cccc2Cl)c(Br)c1.
What is the InChIKey of 2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene?
The InChIKey is XNCZQBUDUNSTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2F2/c15-11-6-8(18)4-5-9(11)13(17)7-10-12(16)2-1-3-14(10)19/h1-6,13H,7H2.
What are the key properties of 2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene?
2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene has a molecular weight of 366.03 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene is sourced from PubChem (CID 55225389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).