1-bromo-4-(bromomethyl)benzene;hydrofluoride

C7H7Br2F — CID 175432482

IUPAC1-bromo-4-(bromomethyl)benzene;hydrofluoride
SMILESBrCc1ccc(Br)cc1.F
InChIInChI=1S/C7H6Br2.FH/c8-5-6-1-3-7(9)4-2-6;/h1-4H,5H2;1H
InChIKeyFTGGGEQFDAMGQS-UHFFFAOYSA-N
MW269.94 g/mol
LogP3.50
Rot. Bonds1

About 1-bromo-4-(bromomethyl)benzene;hydrofluoride

1-bromo-4-(bromomethyl)benzene;hydrofluoride (PubChem CID 175432482) has the molecular formula C7H7Br2F and a molecular weight of 269.94 g/mol. Its IUPAC name is 1-bromo-4-(bromomethyl)benzene;hydrofluoride.

Molecular Properties

Compound Name1-bromo-4-(bromomethyl)benzene;hydrofluoride
PubChem CID175432482
Molecular FormulaC7H7Br2F
Molecular Weight269.94 g/mol
Exact Mass267.89
IUPAC Name1-bromo-4-(bromomethyl)benzene;hydrofluoride
SMILESBrCc1ccc(Br)cc1.F
InChIInChI=1S/C7H6Br2.FH/c8-5-6-1-3-7(9)4-2-6;/h1-4H,5H2;1H
InChIKeyFTGGGEQFDAMGQS-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.94
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-4-(bromomethyl)benzene;hydrofluoride 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-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
1,3-bis(bromomethyl)-5-(4-bromophenyl)benzene
CID 24751418
N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide
CID 107233703
1-(bromomethyl)-4-[(1R,2S)-1,2-dibromo-2-[4-(bromomethyl)phenyl]ethyl]benzene
CID 98159586
4-(bromomethyl)-N-(4-bromophenyl)benzenesulfonamide
CID 65480206
4-bromo-N-[4-(bromomethyl)phenyl]benzenesulfonamide
CID 113271541
(4-bromophenyl)methylazanium
CID 6951353
[4-(bromomethyl)phenyl]methanamine
CID 24721042
CID 11811178
CID 11811178
1-bromo-4-ethylbenzene
CID 20805498
CID 57470384
CID 57470384
1-bromo-4-ethylbenzene
CID 15313

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(bromomethyl)benzene;hydrofluoride?
The IUPAC name of 1-bromo-4-(bromomethyl)benzene;hydrofluoride (CID 175432482) is 1-bromo-4-(bromomethyl)benzene;hydrofluoride.
What is the SMILES notation for 1-bromo-4-(bromomethyl)benzene;hydrofluoride?
The canonical SMILES for 1-bromo-4-(bromomethyl)benzene;hydrofluoride is BrCc1ccc(Br)cc1.F.
What is the InChIKey of 1-bromo-4-(bromomethyl)benzene;hydrofluoride?
The InChIKey is FTGGGEQFDAMGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2.FH/c8-5-6-1-3-7(9)4-2-6;/h1-4H,5H2;1H.
What are the key properties of 1-bromo-4-(bromomethyl)benzene;hydrofluoride?
1-bromo-4-(bromomethyl)benzene;hydrofluoride has a molecular weight of 269.94 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(bromomethyl)benzene;hydrofluoride is sourced from PubChem (CID 175432482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).