1-(2,2-dibromoethyl)-3-fluorobenzene

C8H7Br2F — CID 89414969

IUPAC1-(2,2-dibromoethyl)-3-fluorobenzene
SMILESFc1cccc(CC(Br)Br)c1
InChIInChI=1S/C8H7Br2F/c9-8(10)5-6-2-1-3-7(11)4-6/h1-4,8H,5H2
InChIKeyVZLOOZJMENTPFO-UHFFFAOYSA-N
MW281.95 g/mol
LogP3.48
Rot. Bonds2

About 1-(2,2-dibromoethyl)-3-fluorobenzene

1-(2,2-dibromoethyl)-3-fluorobenzene (PubChem CID 89414969) has the molecular formula C8H7Br2F and a molecular weight of 281.95 g/mol. Its IUPAC name is 1-(2,2-dibromoethyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-(2,2-dibromoethyl)-3-fluorobenzene
PubChem CID89414969
Molecular FormulaC8H7Br2F
Molecular Weight281.95 g/mol
Exact Mass279.89
IUPAC Name1-(2,2-dibromoethyl)-3-fluorobenzene
SMILESFc1cccc(CC(Br)Br)c1
InChIInChI=1S/C8H7Br2F/c9-8(10)5-6-2-1-3-7(11)4-6/h1-4,8H,5H2
InChIKeyVZLOOZJMENTPFO-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.95
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2,2-dibromoethyl)-3-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

1-(2-bromo-3,3-dimethylbutyl)-3-fluorobenzene
CID 63543994
2-bromo-3-(3-fluorophenyl)propanamide
CID 104512961
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
1-(2-benzyl-3-bromopropyl)-3-fluorobenzene
CID 66047635
1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 60798027
1-(3-bromo-2-ethylbutyl)-3-fluorobenzene
CID 63471794
1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304292
1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene
CID 63543838
2-[1-bromo-2-(3-fluorophenyl)ethyl]-1,3-dimethoxybenzene
CID 63543671
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63543856
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dibromoethyl)-3-fluorobenzene?
The IUPAC name of 1-(2,2-dibromoethyl)-3-fluorobenzene (CID 89414969) is 1-(2,2-dibromoethyl)-3-fluorobenzene.
What is the SMILES notation for 1-(2,2-dibromoethyl)-3-fluorobenzene?
The canonical SMILES for 1-(2,2-dibromoethyl)-3-fluorobenzene is Fc1cccc(CC(Br)Br)c1.
What is the InChIKey of 1-(2,2-dibromoethyl)-3-fluorobenzene?
The InChIKey is VZLOOZJMENTPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F/c9-8(10)5-6-2-1-3-7(11)4-6/h1-4,8H,5H2.
What are the key properties of 1-(2,2-dibromoethyl)-3-fluorobenzene?
1-(2,2-dibromoethyl)-3-fluorobenzene has a molecular weight of 281.95 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dibromoethyl)-3-fluorobenzene is sourced from PubChem (CID 89414969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).