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

C14H9Br2ClF2 — CID 63518826

IUPAC2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
SMILESFc1ccc(C(Br)Cc2c(F)cccc2Cl)c(Br)c1
InChIInChI=1S/C14H9Br2ClF2/c15-11-6-8(18)4-5-9(11)12(16)7-10-13(17)2-1-3-14(10)19/h1-6,12H,7H2
InChIKeyQMPLYZFRKWEHRN-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.06
Rot. Bonds3

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

2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene (PubChem CID 63518826) has the molecular formula C14H9Br2ClF2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
PubChem CID63518826
Molecular FormulaC14H9Br2ClF2
Molecular Weight410.48 g/mol
Exact Mass407.87
IUPAC Name2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
SMILESFc1ccc(C(Br)Cc2c(F)cccc2Cl)c(Br)c1
InChIInChI=1S/C14H9Br2ClF2/c15-11-6-8(18)4-5-9(11)12(16)7-10-13(17)2-1-3-14(10)19/h1-6,12H,7H2
InChIKeyQMPLYZFRKWEHRN-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
CID 55225389
1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 61079951
1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene
CID 63444214
2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63436939
2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene
CID 107958068
2-bromo-1-[1-bromo-2-(4-chlorophenyl)ethyl]-4-fluorobenzene
CID 63542273
2-[2-bromo-2-(2-ethoxyphenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63518829
1-(2-bromo-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115830230
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1-fluoro-3-methoxybenzene
CID 65433500
1-[2-bromo-2-(3-chloro-2-fluorophenyl)ethyl]-2,4-difluorobenzene
CID 81263225
2-bromo-1-[1-bromo-2-(3-methylphenyl)ethyl]-4-fluorobenzene
CID 63531593
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran
CID 106689728

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene?
The IUPAC name of 2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene (CID 63518826) is 2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene is Fc1ccc(C(Br)Cc2c(F)cccc2Cl)c(Br)c1.
What is the InChIKey of 2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene?
The InChIKey is QMPLYZFRKWEHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClF2/c15-11-6-8(18)4-5-9(11)12(16)7-10-13(17)2-1-3-14(10)19/h1-6,12H,7H2.
What are the key properties of 2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene?
2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene has a molecular weight of 410.48 g/mol, XLogP of 6.06, 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-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene is sourced from PubChem (CID 63518826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).