1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene

C12H12Br2ClF — CID 103166063

IUPAC1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene
SMILESFc1cc(Br)c(Cl)cc1C(Br)CC1CCC1
InChIInChI=1S/C12H12Br2ClF/c13-9(4-7-2-1-3-7)8-5-11(15)10(14)6-12(8)16/h5-7,9H,1-4H2
InChIKeyGUGSWRLLJZLJEU-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.87
Rot. Bonds3

About 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene

1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene (PubChem CID 103166063) has the molecular formula C12H12Br2ClF and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene
PubChem CID103166063
Molecular FormulaC12H12Br2ClF
Molecular Weight370.49 g/mol
Exact Mass367.90
IUPAC Name1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene
SMILESFc1cc(Br)c(Cl)cc1C(Br)CC1CCC1
InChIInChI=1S/C12H12Br2ClF/c13-9(4-7-2-1-3-7)8-5-11(15)10(14)6-12(8)16/h5-7,9H,1-4H2
InChIKeyGUGSWRLLJZLJEU-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.87
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

1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene
CID 103165898
[2-bromo-2-(4-bromo-2,5-difluorophenyl)ethyl]cycloheptane
CID 114458768
1-(1-bromo-2-cyclopentylethyl)-2,4-difluoro-5-methylbenzene
CID 79730955
1-bromo-2-chloro-4-[chloro-(2-methylcyclopentyl)methyl]-5-fluorobenzene
CID 107182658
(4-bromo-5-chloro-2-fluorophenyl)-cycloheptylmethanamine
CID 105398660
1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene
CID 63442452
[2-bromo-2-(2,4-difluorophenyl)ethyl]cycloheptane
CID 114458717
[2-bromo-2-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cycloheptane
CID 114458761
1-bromo-4-[bromo-(4-tert-butylcyclohexyl)methyl]-2-chloro-5-fluorobenzene
CID 105400029
2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene
CID 63444578
1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol
CID 103165469
1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene
CID 105400041

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene?
The IUPAC name of 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene (CID 103166063) is 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene.
What is the SMILES notation for 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene?
The canonical SMILES for 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene is Fc1cc(Br)c(Cl)cc1C(Br)CC1CCC1.
What is the InChIKey of 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene?
The InChIKey is GUGSWRLLJZLJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2ClF/c13-9(4-7-2-1-3-7)8-5-11(15)10(14)6-12(8)16/h5-7,9H,1-4H2.
What are the key properties of 1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene?
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene has a molecular weight of 370.49 g/mol, XLogP of 5.87, 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-chloro-5-fluorobenzene is sourced from PubChem (CID 103166063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).