2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene

C13H8BrCl2F — CID 134619388

IUPAC2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene
SMILESFc1cccc(-c2c(Cl)cccc2Cl)c1CBr
InChIInChI=1S/C13H8BrCl2F/c14-7-9-8(3-1-6-12(9)17)13-10(15)4-2-5-11(13)16/h1-6H,7H2
InChIKeyOEQYYLKFZKEBJS-UHFFFAOYSA-N
MW334.02 g/mol
LogP5.69
Rot. Bonds2

About 2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene

2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene (PubChem CID 134619388) has the molecular formula C13H8BrCl2F and a molecular weight of 334.02 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene
PubChem CID134619388
Molecular FormulaC13H8BrCl2F
Molecular Weight334.02 g/mol
Exact Mass331.92
IUPAC Name2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene
SMILESFc1cccc(-c2c(Cl)cccc2Cl)c1CBr
InChIInChI=1S/C13H8BrCl2F/c14-7-9-8(3-1-6-12(9)17)13-10(15)4-2-5-11(13)16/h1-6H,7H2
InChIKeyOEQYYLKFZKEBJS-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.02
LogP ≤ 55.69
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

1-[2-(bromomethyl)-3-chlorophenyl]-2,3,4,5,6-pentachlorobenzene
CID 134617199
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497
2-(bromomethyl)-1,3-difluorobenzene;ethene
CID 178142068
1-(bromomethyl)-4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorobenzene
CID 134627869
1,2-bis(bromomethyl)-3-fluorobenzene
CID 14111600
4-(bromomethyl)-3-chloro-5-(2-fluorophenyl)pyridine
CID 118799577
CID 167462330
CID 167462330
1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene
CID 119023512
[2-(bromomethyl)-3-fluorophenyl]hydrazine
CID 131075605
2-(bromomethyl)-3-chloro-N-(2-fluorophenyl)-N-methylaniline
CID 107082621
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene?
The IUPAC name of 2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene (CID 134619388) is 2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene.
What is the SMILES notation for 2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene?
The canonical SMILES for 2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene is Fc1cccc(-c2c(Cl)cccc2Cl)c1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene?
The InChIKey is OEQYYLKFZKEBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2F/c14-7-9-8(3-1-6-12(9)17)13-10(15)4-2-5-11(13)16/h1-6H,7H2.
What are the key properties of 2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene?
2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene has a molecular weight of 334.02 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene is sourced from PubChem (CID 134619388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).