1,2-bis(bromomethyl)-3-fluorobenzene

C8H7Br2F — CID 14111600

IUPAC1,2-bis(bromomethyl)-3-fluorobenzene
SMILESFc1cccc(CBr)c1CBr
InChIInChI=1S/C8H7Br2F/c9-4-6-2-1-3-8(11)7(6)5-10/h1-3H,4-5H2
InChIKeyRFGAFUSDCBRIFT-UHFFFAOYSA-N
MW281.95 g/mol
LogP3.62
Rot. Bonds2

About 1,2-bis(bromomethyl)-3-fluorobenzene

1,2-bis(bromomethyl)-3-fluorobenzene (PubChem CID 14111600) has the molecular formula C8H7Br2F and a molecular weight of 281.95 g/mol. Its IUPAC name is 1,2-bis(bromomethyl)-3-fluorobenzene.

Molecular Properties

Compound Name1,2-bis(bromomethyl)-3-fluorobenzene
PubChem CID14111600
Molecular FormulaC8H7Br2F
Molecular Weight281.95 g/mol
Exact Mass279.89
IUPAC Name1,2-bis(bromomethyl)-3-fluorobenzene
SMILESFc1cccc(CBr)c1CBr
InChIInChI=1S/C8H7Br2F/c9-4-6-2-1-3-8(11)7(6)5-10/h1-3H,4-5H2
InChIKeyRFGAFUSDCBRIFT-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-bis(bromomethyl)-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

2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
2-(bromomethyl)-1,3-difluorobenzene;ethene
CID 178142068
1-[2-(bromomethyl)-6-fluorophenyl]propan-2-one
CID 130968306
CID 160720052
CID 160720052
2-(bromomethyl)-6-fluorophenol
CID 86086661
1-(bromomethyl)-2-chloro-3-fluorobenzene
CID 44782644
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290
[2-(bromomethyl)-3-fluorophenyl]hydrazine
CID 131075605
N-[2-(bromomethyl)phenyl]-2-(2,6-difluorophenyl)acetamide
CID 114309787
2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene
CID 64671779
2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079
2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene
CID 134619388

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(bromomethyl)-3-fluorobenzene?
The IUPAC name of 1,2-bis(bromomethyl)-3-fluorobenzene (CID 14111600) is 1,2-bis(bromomethyl)-3-fluorobenzene.
What is the SMILES notation for 1,2-bis(bromomethyl)-3-fluorobenzene?
The canonical SMILES for 1,2-bis(bromomethyl)-3-fluorobenzene is Fc1cccc(CBr)c1CBr.
What is the InChIKey of 1,2-bis(bromomethyl)-3-fluorobenzene?
The InChIKey is RFGAFUSDCBRIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F/c9-4-6-2-1-3-8(11)7(6)5-10/h1-3H,4-5H2.
What are the key properties of 1,2-bis(bromomethyl)-3-fluorobenzene?
1,2-bis(bromomethyl)-3-fluorobenzene has a molecular weight of 281.95 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(bromomethyl)-3-fluorobenzene is sourced from PubChem (CID 14111600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).