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

C7H6BrClF2 — CID 175540499

IUPAC2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
SMILESCl.Fc1cccc(F)c1CBr
InChIInChI=1S/C7H5BrF2.ClH/c8-4-5-6(9)2-1-3-7(5)10;/h1-3H,4H2;1H
InChIKeyYOBJTKIIYPCGMU-UHFFFAOYSA-N
MW243.48 g/mol
LogP3.28
Rot. Bonds1

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

2-(bromomethyl)-1,3-difluorobenzene;hydrochloride (PubChem CID 175540499) has the molecular formula C7H6BrClF2 and a molecular weight of 243.48 g/mol. Its IUPAC name is 2-(bromomethyl)-1,3-difluorobenzene;hydrochloride.

Molecular Properties

Compound Name2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
PubChem CID175540499
Molecular FormulaC7H6BrClF2
Molecular Weight243.48 g/mol
Exact Mass241.93
IUPAC Name2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
SMILESCl.Fc1cccc(F)c1CBr
InChIInChI=1S/C7H5BrF2.ClH/c8-4-5-6(9)2-1-3-7(5)10;/h1-3H,4H2;1H
InChIKeyYOBJTKIIYPCGMU-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.48
LogP ≤ 53.28
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-(bromomethyl)-1,3-difluorobenzene;ethene
CID 178142068
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
1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene
CID 134627869
2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene
CID 64671779
2-(bromomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 114065440
2-bromo-1-[2-(bromomethyl)-3-fluorophenyl]propan-1-one
CID 130822914
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1,3-difluorobenzene;hydrochloride?
The IUPAC name of 2-(bromomethyl)-1,3-difluorobenzene;hydrochloride (CID 175540499) is 2-(bromomethyl)-1,3-difluorobenzene;hydrochloride.
What is the SMILES notation for 2-(bromomethyl)-1,3-difluorobenzene;hydrochloride?
The canonical SMILES for 2-(bromomethyl)-1,3-difluorobenzene;hydrochloride is Cl.Fc1cccc(F)c1CBr.
What is the InChIKey of 2-(bromomethyl)-1,3-difluorobenzene;hydrochloride?
The InChIKey is YOBJTKIIYPCGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2.ClH/c8-4-5-6(9)2-1-3-7(5)10;/h1-3H,4H2;1H.
What are the key properties of 2-(bromomethyl)-1,3-difluorobenzene;hydrochloride?
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride has a molecular weight of 243.48 g/mol, XLogP of 3.28, 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;hydrochloride is sourced from PubChem (CID 175540499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).