1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene

C13H15BrF2 — CID 103166558

IUPAC1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene
SMILESFc1cccc(CC(Br)CC2CCC2)c1F
InChIInChI=1S/C13H15BrF2/c14-11(7-9-3-1-4-9)8-10-5-2-6-12(15)13(10)16/h2,5-6,9,11H,1,3-4,7-8H2
InChIKeyWFZSVSIZLYYDJF-UHFFFAOYSA-N
MW289.16 g/mol
LogP4.46
Rot. Bonds4

About 1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene

1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene (PubChem CID 103166558) has the molecular formula C13H15BrF2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene
PubChem CID103166558
Molecular FormulaC13H15BrF2
Molecular Weight289.16 g/mol
Exact Mass288.03
IUPAC Name1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene
SMILESFc1cccc(CC(Br)CC2CCC2)c1F
InChIInChI=1S/C13H15BrF2/c14-11(7-9-3-1-4-9)8-10-5-2-6-12(15)13(10)16/h2,5-6,9,11H,1,3-4,7-8H2
InChIKeyWFZSVSIZLYYDJF-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene 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-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene
CID 103166568
[1-cyclohexyl-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105296152
1-(2-bromo-3-cycloheptylpropyl)naphthalene
CID 114458974
1-[(3-bromocyclohexyl)methyl]-2,3-difluorobenzene
CID 64507155
[2-(2,3-difluorophenyl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105231538
3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
CID 64505305
1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine
CID 82806050
1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 115831211
2-(2,3-difluorophenyl)-1-(oxan-4-yl)ethanol
CID 65149953
[2-(2,3-difluorophenyl)-1-(4-propylcyclohexyl)ethyl]hydrazine
CID 105232337
[1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170767
1-(cyclobutylmethyl)-2-fluorobenzene
CID 89050192

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene?
The IUPAC name of 1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene (CID 103166558) is 1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene?
The canonical SMILES for 1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene is Fc1cccc(CC(Br)CC2CCC2)c1F.
What is the InChIKey of 1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene?
The InChIKey is WFZSVSIZLYYDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2/c14-11(7-9-3-1-4-9)8-10-5-2-6-12(15)13(10)16/h2,5-6,9,11H,1,3-4,7-8H2.
What are the key properties of 1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene?
1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene has a molecular weight of 289.16 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene is sourced from PubChem (CID 103166558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).