2-(bromomethyl)-1,3-difluorobenzene;ethene

C9H9BrF2 — CID 178142068

IUPAC2-(bromomethyl)-1,3-difluorobenzene;ethene
SMILESC=C.Fc1cccc(F)c1CBr
InChIInChI=1S/C7H5BrF2.C2H4/c8-4-5-6(9)2-1-3-7(5)10;1-2/h1-3H,4H2;1-2H2
InChIKeyRVTMHNKOSLAHSR-UHFFFAOYSA-N
MW235.07 g/mol
LogP3.66
Rot. Bonds1

About 2-(bromomethyl)-1,3-difluorobenzene;ethene

2-(bromomethyl)-1,3-difluorobenzene;ethene (PubChem CID 178142068) has the molecular formula C9H9BrF2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 2-(bromomethyl)-1,3-difluorobenzene;ethene.

Molecular Properties

Compound Name2-(bromomethyl)-1,3-difluorobenzene;ethene
PubChem CID178142068
Molecular FormulaC9H9BrF2
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name2-(bromomethyl)-1,3-difluorobenzene;ethene
SMILESC=C.Fc1cccc(F)c1CBr
InChIInChI=1S/C7H5BrF2.C2H4/c8-4-5-6(9)2-1-3-7(5)10;1-2/h1-3H,4H2;1-2H2
InChIKeyRVTMHNKOSLAHSR-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-1,3-difluorobenzene;ethene 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
1,2-bis(bromomethyl)-3-fluorobenzene
CID 14111600
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290
[2-(bromomethyl)-3-fluorophenyl]hydrazine
CID 131075605
2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079
2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene
CID 134619388
(2,6-difluorophenyl)methanethiol;ethane
CID 178170499
2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,3-difluorobenzene
CID 102642184
1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene
CID 134627869
2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene
CID 64671779
N-[(2,6-difluorophenyl)methyl]methanimine
CID 142040914
2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 114065440

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1,3-difluorobenzene;ethene?
The IUPAC name of 2-(bromomethyl)-1,3-difluorobenzene;ethene (CID 178142068) is 2-(bromomethyl)-1,3-difluorobenzene;ethene.
What is the SMILES notation for 2-(bromomethyl)-1,3-difluorobenzene;ethene?
The canonical SMILES for 2-(bromomethyl)-1,3-difluorobenzene;ethene is C=C.Fc1cccc(F)c1CBr.
What is the InChIKey of 2-(bromomethyl)-1,3-difluorobenzene;ethene?
The InChIKey is RVTMHNKOSLAHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2.C2H4/c8-4-5-6(9)2-1-3-7(5)10;1-2/h1-3H,4H2;1-2H2.
What are the key properties of 2-(bromomethyl)-1,3-difluorobenzene;ethene?
2-(bromomethyl)-1,3-difluorobenzene;ethene has a molecular weight of 235.07 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1,3-difluorobenzene;ethene is sourced from PubChem (CID 178142068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).