1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene

C12H12Br2F2 — CID 103165898

IUPAC1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene
SMILESFc1cc(C(Br)CC2CCC2)c(F)cc1Br
InChIInChI=1S/C12H12Br2F2/c13-9(4-7-2-1-3-7)8-5-12(16)10(14)6-11(8)15/h5-7,9H,1-4H2
InChIKeyJBLJAGLQFKZNRD-UHFFFAOYSA-N
MW354.03 g/mol
LogP5.35
Rot. Bonds3

About 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene

1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene (PubChem CID 103165898) has the molecular formula C12H12Br2F2 and a molecular weight of 354.03 g/mol. Its IUPAC name is 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene.

Molecular Properties

Compound Name1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene
PubChem CID103165898
Molecular FormulaC12H12Br2F2
Molecular Weight354.03 g/mol
Exact Mass351.93
IUPAC Name1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene
SMILESFc1cc(C(Br)CC2CCC2)c(F)cc1Br
InChIInChI=1S/C12H12Br2F2/c13-9(4-7-2-1-3-7)8-5-12(16)10(14)6-11(8)15/h5-7,9H,1-4H2
InChIKeyJBLJAGLQFKZNRD-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.03
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-bromo-2-(4-bromo-2,5-difluorophenyl)ethyl]cycloheptane
CID 114458768
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene
CID 103166063
1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol
CID 103165469
1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene
CID 63442452
[2-bromo-2-(2,4-difluorophenyl)ethyl]cycloheptane
CID 114458717
1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene
CID 79730955
1-bromo-4-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-2,5-difluorobenzene
CID 103165899
[2-bromo-2-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cycloheptane
CID 114458761
1-(4-bromo-2,5-difluorophenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457690
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene
CID 103165895
[(4-bromo-2,5-difluorophenyl)-chloromethyl]cyclooctane
CID 65021044
2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene
CID 63443650

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene?
The IUPAC name of 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene (CID 103165898) is 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene.
What is the SMILES notation for 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene?
The canonical SMILES for 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene is Fc1cc(C(Br)CC2CCC2)c(F)cc1Br.
What is the InChIKey of 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene?
The InChIKey is JBLJAGLQFKZNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2F2/c13-9(4-7-2-1-3-7)8-5-12(16)10(14)6-11(8)15/h5-7,9H,1-4H2.
What are the key properties of 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene?
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene has a molecular weight of 354.03 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene is sourced from PubChem (CID 103165898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).