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

C14H10Br2ClF — CID 63531253

IUPAC2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene
SMILESFc1ccc(Cl)cc1C(Br)Cc1cccc(Br)c1
InChIInChI=1S/C14H10Br2ClF/c15-10-3-1-2-9(6-10)7-13(16)12-8-11(17)4-5-14(12)18/h1-6,8,13H,7H2
InChIKeyZFMWMOPEFXIMQR-UHFFFAOYSA-N
MW392.49 g/mol
LogP5.92
Rot. Bonds3

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

2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene (PubChem CID 63531253) has the molecular formula C14H10Br2ClF and a molecular weight of 392.49 g/mol. Its IUPAC name is 2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene.

Molecular Properties

Compound Name2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene
PubChem CID63531253
Molecular FormulaC14H10Br2ClF
Molecular Weight392.49 g/mol
Exact Mass389.88
IUPAC Name2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene
SMILESFc1ccc(Cl)cc1C(Br)Cc1cccc(Br)c1
InChIInChI=1S/C14H10Br2ClF/c15-10-3-1-2-9(6-10)7-13(16)12-8-11(17)4-5-14(12)18/h1-6,8,13H,7H2
InChIKeyZFMWMOPEFXIMQR-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 55.92
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-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63543856
1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461930
1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-4,5-difluorobenzene
CID 107477529
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene
CID 105400119
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-methylbenzene
CID 82890576
3-[1-bromo-2-(3-bromophenyl)ethyl]-2,5-dichlorothiophene
CID 55199742
2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050200
2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55188147
1-[1-bromo-2-(3,4-difluorophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461470
1-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-2,5-difluorobenzene
CID 82771134
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
CID 103049610

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene?
The IUPAC name of 2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene (CID 63531253) is 2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene.
What is the SMILES notation for 2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene?
The canonical SMILES for 2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene is Fc1ccc(Cl)cc1C(Br)Cc1cccc(Br)c1.
What is the InChIKey of 2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene?
The InChIKey is ZFMWMOPEFXIMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClF/c15-10-3-1-2-9(6-10)7-13(16)12-8-11(17)4-5-14(12)18/h1-6,8,13H,7H2.
What are the key properties of 2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene?
2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene has a molecular weight of 392.49 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene is sourced from PubChem (CID 63531253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).