2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene

C14H10BrClF2 — CID 63436939

IUPAC2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene
SMILESFc1ccc(C(Br)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H10BrClF2/c15-12(9-4-6-10(17)7-5-9)8-11-13(16)2-1-3-14(11)18/h1-7,12H,8H2
InChIKeyQNDWOWOZUHUQPL-UHFFFAOYSA-N
MW331.59 g/mol
LogP5.30
Rot. Bonds3

About 2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene

2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene (PubChem CID 63436939) has the molecular formula C14H10BrClF2 and a molecular weight of 331.59 g/mol. Its IUPAC name is 2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene.

Molecular Properties

Compound Name2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene
PubChem CID63436939
Molecular FormulaC14H10BrClF2
Molecular Weight331.59 g/mol
Exact Mass329.96
IUPAC Name2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene
SMILESFc1ccc(C(Br)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H10BrClF2/c15-12(9-4-6-10(17)7-5-9)8-11-13(16)2-1-3-14(11)18/h1-7,12H,8H2
InChIKeyQNDWOWOZUHUQPL-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 55.30
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-[2-bromo-2-(4-fluoro-3-methylphenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63517979
2-bromo-1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
CID 63518826
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1-fluoro-3-methoxybenzene
CID 65433500
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-chlorofuran
CID 106689728
1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene
CID 63444214
2-[3-bromo-2-(4-chlorophenyl)propyl]-1-chloro-3-fluorobenzene
CID 79435659
2-[2-bromo-2-(2-ethoxyphenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63518829
2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
CID 64720594
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-5-methylthiophene
CID 63435833
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene
CID 55198173
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
CID 55225389

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene?
The IUPAC name of 2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene (CID 63436939) is 2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene.
What is the SMILES notation for 2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene?
The canonical SMILES for 2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene is Fc1ccc(C(Br)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene?
The InChIKey is QNDWOWOZUHUQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2/c15-12(9-4-6-10(17)7-5-9)8-11-13(16)2-1-3-14(11)18/h1-7,12H,8H2.
What are the key properties of 2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene?
2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene has a molecular weight of 331.59 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene is sourced from PubChem (CID 63436939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).