1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene

C13H15BrF2 — CID 103166568

IUPAC1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene
SMILESFc1ccc(CC(Br)CC2CCC2)c(F)c1
InChIInChI=1S/C13H15BrF2/c14-11(6-9-2-1-3-9)7-10-4-5-12(15)8-13(10)16/h4-5,8-9,11H,1-3,6-7H2
InChIKeyHFWUEZAGYUBICW-UHFFFAOYSA-N
MW289.16 g/mol
LogP4.46
Rot. Bonds4

About 1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene

1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene (PubChem CID 103166568) has the molecular formula C13H15BrF2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene
PubChem CID103166568
Molecular FormulaC13H15BrF2
Molecular Weight289.16 g/mol
Exact Mass288.03
IUPAC Name1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene
SMILESFc1ccc(CC(Br)CC2CCC2)c(F)c1
InChIInChI=1S/C13H15BrF2/c14-11(6-9-2-1-3-9)7-10-4-5-12(15)8-13(10)16/h4-5,8-9,11H,1-3,6-7H2
InChIKeyHFWUEZAGYUBICW-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'}

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Related Compounds

[1-cyclobutyl-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105223148
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 64560428
1-(2-bromo-3-cyclobutylpropyl)-2,3-difluorobenzene
CID 103166558
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277
1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 115714661
[2-bromo-2-(2,4-difluorophenyl)ethyl]cycloheptane
CID 114458717
1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene
CID 63442452
1-cyclohexyl-2-(2,4-difluorophenyl)ethanol
CID 62195897
1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol
CID 64560809
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
1-(3-bromo-3-cyclopropylpropyl)-2,4-difluorobenzene
CID 63358358
[4-cyclohexyl-1-(2,4-difluorophenyl)butan-2-yl]hydrazine
CID 105291836

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene?
The IUPAC name of 1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene (CID 103166568) is 1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene.
What is the SMILES notation for 1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene?
The canonical SMILES for 1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene is Fc1ccc(CC(Br)CC2CCC2)c(F)c1.
What is the InChIKey of 1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene?
The InChIKey is HFWUEZAGYUBICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2/c14-11(6-9-2-1-3-9)7-10-4-5-12(15)8-13(10)16/h4-5,8-9,11H,1-3,6-7H2.
What are the key properties of 1-(2-bromo-3-cyclobutylpropyl)-2,4-difluorobenzene?
1-(2-bromo-3-cyclobutylpropyl)-2,4-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)-2,4-difluorobenzene is sourced from PubChem (CID 103166568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).